SCHEMBL680660

SCHEMBL680660

CCCc1ccc(OCC)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 3/20 0.71
KDM4E B2RXH2 2/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 2/20 0.56
ALDH1A1 P00352 1/20 0.56
ATM Q13315 2/20 0.55
MAPK1 P28482 2/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CA2 P00918 1/20 0.52
CYP19A1 P11511 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
BLM P54132 1/20 0.50

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
SCHEMBL12844009 0.93 CALM1 (0.61) CALM1KDM4EPOLBATMCA2
SCHEMBL623585 0.90 CALM1 (0.57) CALM1GAAMAPTNPC1RAB9A
SCHEMBL8295694 0.89 CALM1 (0.67) CALM1KDM4EGAAMAPTPOLB
SCHEMBL427541 0.88 ATM (0.68) KDM4EMAPTSMN1; SMN2POLBALDH1A1
SCHEMBL12233056 0.87 CALM1 (0.55) CALM1KDM4ENPC1RAB9ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL10556485 0.86 ATM (0.66) KDM4EMAPTSMN1; SMN2POLBALDH1A1
SCHEMBL8867447 0.86 CALM1 (0.67) CALM1KDM4EGAAMAPTNPC1
SCHEMBL3938308 0.86 CALM1 (0.67) CALM1KDM4EGAAMAPTPOLB
SCHEMBL1251843 0.86 KDM4E (0.77) CALM1KDM4EGAAMAPTPOLB
SCHEMBL29543507 0.86 KDM4E (0.77) CALM1KDM4EGAAMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130273-A1 METHOD FOR THE DEACYLATION AND/OR DEALKYLATION OF COMPOUNDS UNIVERSITEIT ANTWERPEN (BE) 2021-05-06 US disclosed
US-10869822-B2 Compositions for treatment of dermatological diseases and conditions and methods of use thereof DermaMedics, LLC (US) 2020-12-22 US disclosed
WO-2019025535-A1 METHOD FOR THE DEACYLATION AND/OR DEALKYLATION OF COMPOUNDS UNIVERSITEIT ANTWERPEN (BE) 2019-02-07 WO disclosed
US-20180235859-A1 Compositions for Treatment of Dermatological Diseases and Conditions and Methods of Use Thereof DermaMedics, LLC 2018-08-23 US disclosed
US-9980887-B2 Compositions for use in treatment of hyperpigmentation and methods of use thereof DermaMedics, LLC (US) 2018-05-29 US disclosed
EP-3238696-A1 METHODS AND COMPOSITIONS FOR TREATING DERMATOLOGICAL DISEASES AND CONDITIONS Therametics, Llc (US) 2017-11-01 EP disclosed
US-9622950-B2 Compositions for use in treatment of dermatological diseases and conditions DermaMedics, LLC (US) 2017-04-18 US disclosed
US-9616006-B2 Methods and compositions for treating dermatological diseases and conditions DermaMedics, LLC (US) 2017-04-11 US disclosed
US-20160346180-A1 Compositions for Use in Treatment of Dermatological Diseases and Conditions and Methods of Use Thereof DERMAMEDICS LLC (US) 2016-12-01 US disclosed
US-20150065490-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
US-7393827-B2 Pharmaceutical compositions and methods for restoring β-cell mass and function DIAKINE THERAPEUTICS, INC. (US) 2008-07-01 US disclosed
US-7393827-B2 Pharmaceutical compositions and methods for restoring β-cell mass and function DIAKINE THERAPEUTICS, INC. (US) 2008-07-01 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US disclosed
WO-2008011518-A2 ENCAPSULATION SYSTEM DIAKINE THERAPEUTICS, INC. (US) 2008-01-24 WO disclosed
WO-2007146786-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING B-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2007-12-21 WO disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 US disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 US disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
WO-2006074051-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING β-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2006-07-13 WO 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 (4 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-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C CALM1 792/4885KDM4E 3889/4885GAA 3278/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK CALM1 1278/4885KDM4E 3026/4885GAA 1059/4885
US-20210130273-A1 METHOD FOR THE DEACYLATION AND/OR DEALKYLATION OF COMPOUNDS HAAO, TDO2, HPD CALM1 3017/4885KDM4E 470/4885GAA 998/4885
US-20150065490-A1 ORGANIC COMPOUNDS ADRB2, ADRA2C, ADRB1 CALM1 1740/4885KDM4E 4160/4885GAA 2255/4885

“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.