SCHEMBL13871997

SCHEMBL13871997

CCC(c1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.64
ACP3 P15309 1/20 0.55
PBRM1 Q86U86 1/20 0.53
CA4 P22748 1/20 0.52
ALDH1A1 P00352 4/20 0.50
LTA4H P09960 2/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
KMT2A Q03164 2/20 0.49
MITF O75030 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
PKM P14618 1/20 0.47
MEN1 O00255 1/20 0.47
MMP13 P45452 1/20 0.47
MIF P14174 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL358549 0.94 CYP17A1 (0.70) CYP17A1ACP3CA4ALDH1A1MAPT
Benzylamine SCHEMBL9396009 0.86 ALDH1A1 (0.55) CYP17A1ALDH1A1LTA4HCNR2KMT2A
SCHEMBL11756610 0.85 KMT2A (0.61) CYP17A1ACP3CA4ALDH1A1KMT2A
SCHEMBL12506256 0.84 HTR2A (0.56) LMNATDP1MIF
SCHEMBL24610441 0.84 CYP17A1 (0.60) CYP17A1LTA4HKMT2ALMNAMAPT
SCHEMBL8081733 0.84 CYP17A1 (0.60) CYP17A1LTA4HCNR1CNR2MITF
SCHEMBL29277734 0.82 GPR88 (0.52) CYP17A1ACP3PBRM1CA4ALDH1A1
SCHEMBL29277735 0.82 GPR88 (0.52) CYP17A1ACP3PBRM1CA4ALDH1A1
Ammonia Solution, Strong SCHEMBL5999968 0.82 CYP17A1 (0.61) CYP17A1ALDH1A1KMT2A
Ammonia Solution, Strong SCHEMBL6000897 0.82 CYP17A1 (0.50) CYP17A1ALDH1A1CNR1CNR2KMT2A

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-4215567-A1 AQUEOUS BINDER COMPOSITION ROCKWOOL A/S (DK) 2023-07-26 EP disclosed
US-20090099214-A1 Organic Compounds NOVARTIS AG 2009-04-16 US disclosed
US-20090099214-A1 Organic Compounds NOVARTIS AG 2009-04-16 US disclosed
WO-2007121919-A1 PURINE DERIVATIVES WITH ACTIVITY TO THE ADENOSINE A2A RECEPTOR NOVARTIS AG (CH) 2007-11-01 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-20090099214-A1 Organic Compounds CYP3A43, OXER1, OPRM1 CYP17A1 131/4885ACP3 2676/4885PBRM1 440/4885

“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.