SCHEMBL4365209

SCHEMBL4365209

CC(C#N)=C1c2ccccc2COc2cc(C(=O)O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.45
▸ SRD5A1 P18405 1/20 0.45
▸ AKR1B1 P15121 1/20 0.44
▸ TBXA2R P21731 3/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TTR P02766 1/20 0.41
▸ TBXAS1 P24557 1/20 0.41
▸ MAPK14 Q16539 2/20 0.40

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
SCHEMBL4365202 1.00 SRD5A2 (0.45) SRD5A2SRD5A1AKR1B1TBXA2RALDH1A1
SCHEMBL4365208 1.00 SRD5A2 (0.45) SRD5A2SRD5A1AKR1B1TBXA2RALDH1A1
SCHEMBL1917164 0.87 MAPK14 (0.45) AKR1B1ALDH1A1MAPTSMN1; SMN2MAPK14
SCHEMBL1917165 0.87 MAPK14 (0.45) AKR1B1ALDH1A1MAPTSMN1; SMN2MAPK14
SCHEMBL1917168 0.87 MAPK14 (0.45) AKR1B1ALDH1A1MAPTSMN1; SMN2MAPK14
SCHEMBL15301639 0.81 NOTUM (0.46) SRD5A2SRD5A1TBXA2RALDH1A1
SCHEMBL15301638 0.81 NOTUM (0.46) SRD5A2SRD5A1TBXA2RALDH1A1
SCHEMBL15301637 0.81 NOTUM (0.46) SRD5A2SRD5A1TBXA2RALDH1A1
SCHEMBL490046 0.80 AKR1B1 (0.65) SRD5A2SRD5A1AKR1B1ALDH1A1MAPT
SCHEMBL15301425 0.80 SRD5A2 (0.45) SRD5A2SRD5A1AKR1B1TBXA2RALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1988091-B1 TRICYCLIC COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2015-06-10 — — EP disclosed
US-8242151-B2 Tricyclic compounds KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-14 — — US disclosed
US-20090176760-A1 TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-09 — — US disclosed
EP-1988091-A1 TRICYCLIC COMPOUNDS Kyowa Hakko Kogyo Co., Ltd (JP) 2008-11-05 — — 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 (1 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-20090176760-A1 TRICYCLIC COMPOUNDS PPARG, PPARD, PPARA SRD5A2 737/4885SRD5A1 816/4885AKR1B1 1128/4885

“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.

Send feedback