SCHEMBL4152929

SCHEMBL4152929

O=Cc1cccc(OCCCl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.58
MAOB P27338 8/20 0.58
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
TDP1 Q9NUW8 1/20 0.53
SRC P12931 1/20 0.49
TLR4 O00206 3/20 0.43
TLR2 O60603 3/20 0.43
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNB1 P14635 1/20 0.42
CCND1 P24385 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42

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
SCHEMBL3575088 0.93 MAOA (0.58) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL3426399 0.91 MAOA (0.57) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL5744908 0.90 MAOA (0.53) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL5543437 0.89 MAOA (0.66) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL30724528 0.87 MAOA (0.64) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL5016296 0.85 MAOA (0.62) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL8716037 0.85 MAOA (0.62) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL8374655 0.85 MAOA (0.62) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL8374654 0.85 MAOA (0.62) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL22181586 0.84 MAOA (0.60) MAOAMAOBNPC1RAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8361996-B2 Imidazolyl substituted steroidal and indan-1-one derivatives COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2013-01-29 US disclosed
CN-101291950-B Novel series of imidazolyl substituted steroidal and indan-1-one derivatives COUNCIL SCIENT IND RES 2013-01-02 CN disclosed
EP-1934241-B1 NOVEL SERIES OF IMIDAZOLYL SUBSTITUTED STEROIDAL AND INDAN-1-ONE DERIVATIVES COUNCIL SCIENT IND RES (IN) 2012-11-14 EP disclosed
US-20090137541-A1 Novel Series of Imidazolyl Substituted Steroidal and Indan-1-One Derivatives COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2009-05-28 US disclosed
CN-101291950-A Novel series of imidazolyl substituted steroidal and indan-1-one derivatives COUNCIL SCIENT IND RES (IN) 2008-10-22 CN disclosed
EP-1934241-A2 NOVEL SERIES OF IMIDAZOLYL SUBSTITUTED STEROIDAL AND INDAN-1-ONE DERIVATIVES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-06-25 EP disclosed
WO-2007031833-A2 NOVEL SERIES OF IMIDAZOLYL SUBSTITUTED STEROIDAL AND INDAN-1-ONE DERIVATIVES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-03-22 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-20090137541-A1 Novel Series of Imidazolyl Substituted Steroidal and Indan-1-One Derivatives NR5A1, NR3C2, CYP17A1 MAOA 2861/4885MAOB 3781/4885NPC1 753/4885

“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.