SCHEMBL865776

SCHEMBL865776

CCC(=O)c1ccc2c(c1)CCCC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.56
WNT3A P56704 1/20 0.56
ALDH1A1 P00352 4/20 0.56
MAPT P10636 5/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
HTT P42858 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HPGD P15428 2/20 0.55
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
ATM Q13315 1/20 0.49
CBX7 O95931 1/20 0.47
CDYL2 Q8N8U2 1/20 0.47
CDYL Q9Y232 1/20 0.47
CDY1; CDY1B Q9Y6F8 1/20 0.47
KDM2B Q8NHM5 1/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10776661 0.96 ALDH1A1 (0.61) CTNNB1WNT3AALDH1A1MAPTNPC1
SCHEMBL30950305 0.96 ALDH1A1 (0.61) CTNNB1WNT3AALDH1A1MAPTNPC1
SCHEMBL30089540 0.85 CTNNB1 (0.73) CTNNB1WNT3AALDH1A1MAPTNPC1
SCHEMBL19543306 0.84 ATM (0.45) CTNNB1WNT3AALDH1A1MAPTNPC1
SCHEMBL7696585 0.82 CTNNB1 (0.57) CTNNB1WNT3AALDH1A1MAPTNPC1
SCHEMBL1183589 0.81 MAPT (0.57) CTNNB1WNT3AALDH1A1MAPTNPC1
SCHEMBL15678862 0.81 CTNNB1 (0.56) CTNNB1WNT3AALDH1A1MAPTNPC1
SCHEMBL15927498 0.81 CTNNB1 (0.56) CTNNB1WNT3AALDH1A1MAPTNPC1
SCHEMBL15927490 0.81 CTNNB1 (0.56) CTNNB1WNT3AALDH1A1MAPTNPC1
SCHEMBL30089482 0.81 CTNNB1 (0.69) CTNNB1WNT3AALDH1A1MAPTNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4426684-A1 CYCLIC ACETALS AND KETALS FOR THE LIGHT-INDUCED RELEASE OF ACTIVE ALDEHYDES AND KETONES Firmenich SA (CH) 2024-09-11 EP disclosed
WO-2023078909-A1 CYCLIC ACETALS AND KETALS FOR THE LIGHT-INDUCED RELEASE OF ACTIVE ALDEHYDES AND KETONES FIRMENICH SA (CH) 2023-05-11 WO disclosed
US-9040559-B2 BETA2-adrenoceptor agonists NOVARTIS AG (CH) 2015-05-26 US disclosed
US-20140343091-A1 BETA2-ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2014-11-20 US disclosed
WO-2014119617-A1 AMIDINE COMPOUND AND SALT THEREOF 富山化学工業株式会社 (JP) 2014-08-07 WO disclosed
US-8796307-B2 Beta2-adrenoreceptor agonists NOVARTIS AG (CH) 2014-08-05 US disclosed
US-20140066478-A1 Beta2-Adrenoreceptor Agonists NOVARTIS AG (CH) 2014-03-06 US disclosed
US-8658673-B2 BETA2-adrenoreceptor agonists NOVARTIS AG (CH) 2014-02-25 US disclosed
US-20130231367-A1 BETA2-ADRENORECEPTOR AGONISTS NOVARTIS AG (CH) 2013-09-05 US disclosed
US-8436017-B2 Beta-2-adrenoreceptor agonists NOVARTIS AG (CH) 2013-05-07 US disclosed
US-7820694-B2 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis NOVARTIS AG (CH) 2010-10-26 US disclosed
US-20100029705-A1 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis CUENOUD BERNARD 2010-02-04 US disclosed
US-7622483-B2 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis NOVARTIS AG (CH) 2009-11-24 US disclosed
EP-1183240-B1 BETA2-ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2009-08-19 EP disclosed
US-20050153957-A1 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis NOVARTIS AG (CH) 2005-07-14 US disclosed
US-6878721-B1 N-(partially hydrogenated fused carbocycle)-2-arylethylamine derivatives, e.g., 8-hydroxy-5-(1-hydroxy-2-(indan-2-ylamino)-ethyl)-1H-quinolin-2-one; treatment of obstructive or inflammatory NOVARTIS AG (CH) 2005-04-12 US disclosed
US-4563454-A ASTHMA, RHINITIS, DERMATITIS NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1986-01-07 US disclosed
EP-0004000-B1 NEW PROPANONE DERIVATIVES, PROCESS FOR PRODUCING THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES AS ACTIVE INGREDIENTS NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1984-11-28 EP disclosed
US-4277474-A DERMATITIS, RHINITIS, ASTHMA NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1981-07-07 US disclosed
EP-0004000-A1 New propanone derivatives, process for producing thereof and pharmaceutical compositions containing these derivatives as active ingredients NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1979-09-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140066478-A1 Beta2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 CTNNB1 498/4885WNT3A 1362/4885ALDH1A1 2969/4885
US-20140343091-A1 BETA2-ADRENOCEPTOR AGONISTS ADRB2, ADRB1, ADRA2A CTNNB1 493/4885WNT3A 1492/4885ALDH1A1 3219/4885
US-20050153957-A1 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis ADRB3, ADRB2, ADRB1 CTNNB1 2110/4885WNT3A 1014/4885ALDH1A1 3520/4885
US-20100029705-A1 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis ADRB3, ADRB2, ADRB1 CTNNB1 2110/4885WNT3A 1014/4885ALDH1A1 3520/4885
US-20130231367-A1 BETA2-ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRB3 CTNNB1 490/4885WNT3A 1425/4885ALDH1A1 3071/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.