SCHEMBL178043

SCHEMBL178043

COc1ccc(C=O)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.58
RARB P10826 4/20 0.58
RARG P13631 4/20 0.58
HDAC11 Q96DB2 4/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
ALDH1A1 P00352 4/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 2/20 0.51
MEN1 O00255 1/20 0.51
NR1I2 O75469 1/20 0.51
LMNA P02545 1/20 0.51
PGR P06401 1/20 0.51
HSPD1 P10809 1/20 0.51
GOT1 P17174 1/20 0.51
GLRA1 P23415 1/20 0.51
BLM P54132 1/20 0.51

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
SCHEMBL5827566 0.89 HDAC11 (0.68) RARARARBRARGHDAC11HDAC2
SCHEMBL8521094 0.88 ALDH1A1 (0.51) RARARARBRARGHDAC11HDAC2
SCHEMBL4534196 0.87 RARB (0.67) RARARARBRARGHDAC11HDAC2
SCHEMBL34460879 0.86 RARA (0.51) RARARARBRARGHDAC11HDAC2
SCHEMBL9318557 0.85 HDAC11 (0.57) RARARARBRARGHDAC11HDAC2
SCHEMBL31405207 0.85 RARA (0.51) RARARARBRARGHDAC11HDAC2
SCHEMBL566879 0.85 HDAC11 (0.48) RARARARBRARGHDAC11HDAC2
SCHEMBL9492169 0.82 RARA (0.61) RARARARBRARGHDAC11HDAC2
SCHEMBL15517477 0.82 S1PR1 (0.63) RARARARBRARGHDAC11HDAC2
SCHEMBL23802247 0.81 RARA (0.43) RARARARBRARGHDAC11HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9707205-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2017-07-18 US disclosed
CN-102186845-B S1P receptor modulators and their purposes 阿卡制药有限公司 2016-09-07 CN disclosed
EP-2344484-B1 S1P RECEPTORS MODULATORS AND USE THEREOF AKAAL PHARMA PTY LTD (AU) 2016-06-08 EP disclosed
US-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF AKAAL PHARMA PTY LTD. (AU) 2016-02-11 US disclosed
US-9193716-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2015-11-24 US disclosed
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD. (AU) 2014-03-06 US disclosed
US-8592399-B2 S1P receptors modulators and their use thereof AKAAL PHARMA PTY LTD. (AU) 2013-11-26 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof AKAAL PHARMA PTY LTD (AU) 2011-12-29 US disclosed
EP-0552282-A1 BI-AROMATIC COMPOUNDS AND THEIR USE IN HUMAN AND VETERINARY MEDECINE AND IN COSMETIC PREPARATIONS. CIRD GALDERMA (FR) 1993-07-28 EP disclosed
EP-0232199-B1 AROMATIC BENZAMIDO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AS WELL AS IN COSMETICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1993-02-03 EP disclosed
EP-0514269-A1 Imino-derivatives, process for their preparation and their use in human and veterinary medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1992-11-19 EP disclosed
US-5124473-A Skin disorders; antiinflammatory agents, antiallergens CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1992-06-23 US disclosed
EP-0210929-B1 AROMATIC POLYCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL AND COSMETIC USE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1992-06-03 EP disclosed
WO-1992006948-A1 BI-AROMATIC COMPOUNDS AND THEIR USE IN HUMAN AND VETERINARY MEDECINE AND IN COSMETIC PREPARATIONS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1992-04-30 WO disclosed
EP-0409728-A2 Bi-aromatic esters, process for their preparation and their use in human or animal medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1991-01-23 EP disclosed
EP-0409729-A1 Bi-aromatic thioesters, process for their preparation and their use in human or veterinary medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1991-01-23 EP disclosed
EP-0232199-A2 Aromatic benzamido compounds, process for their preparation and their use in human or veterinary medicine as well as in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1987-08-12 EP disclosed
EP-0210929-A2 Aromatic polycyclic derivatives, process for their preparation and their pharmaceutical and cosmetic use CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1987-02-04 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 (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-20160038455-A1 S1P RECEPTORS MODULATORS AND THEIR USE THEREOF S1PR1, S1PR5, S1PR2 RARA 3682/4885RARB 3359/4885RARG 3487/4885
US-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 RARA 4192/4885RARB 3838/4885RARG 4003/4885
US-20110318388-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR5, S1PR2 RARA 3682/4885RARB 3359/4885RARG 3487/4885
US-20140066427-A1 S1P Receptors Modulators and Their Use Thereof S1PR1, S1PR2, S1PR5 RARA 2920/4885RARB 2515/4885RARG 2814/4885

“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.