SCHEMBL4602277

SCHEMBL4602277

COc1c(C)cc(-c2cccc(C)c2)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 2/20 0.57
AKR1C1 Q04828 1/20 0.57
DHODH Q02127 3/20 0.52
CNR2 P34972 3/20 0.50
CNR1 P21554 2/20 0.50
MCL1 Q07820 2/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44

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
SCHEMBL9191728 0.88 CNR1 (0.59) AKR1C2AKR1C1DHODHCNR2CNR1
SCHEMBL4601727 0.87 DHODH (0.59) DHODHCNR2CNR1PIN1KDM4E
SCHEMBL19100974 0.85 HSD17B10 (0.49) DHODHCNR2CNR1MCL1KDM4E
SCHEMBL14783963 0.85 PTGER2 (0.50) AKR1C2AKR1C1DHODHCNR2CNR1
SCHEMBL4601050 0.81 CNR1 (0.47) DHODHCNR2CNR1MCL1
SCHEMBL4602324 0.81 ALDH1A1 (0.55) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4601016 0.80 NEK2 (0.52) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL272091 0.79 RXRB (0.57) AKR1C2AKR1C1DHODHMCL1KMO
SCHEMBL30728866 0.79 TUBB4A (0.49) AKR1C2AKR1C1DHODHCNR2MCL1
SCHEMBL4602362 0.77 LMNA (0.50) DHODHCNR2CNR1MCL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP claimed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO claimed
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 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 (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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R AKR1C2 921/4885AKR1C1 897/4885DHODH 3439/4885

“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.