SCHEMBL4570829

SCHEMBL4570829

CNCc1cc(C)c(C)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.39
HTR7 P34969 2/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
PRMT6 Q96LA8 8/20 0.35
NCF1 P14598 1/20 0.34
NOS1 P29475 4/20 0.34
NOS3 P29474 2/20 0.33
NOS2 P35228 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP19A1 P11511 1/20 0.33
SHBG P04278 1/20 0.32

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
SCHEMBL21885370 0.83 KDM4E (0.33) KDM4ECYP3A4MAPTLOXL2HTR7
SCHEMBL849055 0.82 KDM4E (0.39) KDM4ECYP3A4MAPTLOXL2HTR7
SCHEMBL12305653 0.82 SHBG (0.47) KDM4ECYP3A4MAPTLOXL2HTR7
SCHEMBL23639185 0.82 ALDH1A1 (0.46) KDM4ECYP3A4MAPTLOXL2HTR7
SCHEMBL13339967 0.82 KDM4E (0.52) KDM4ECYP3A4MAPTLOXL2HTR7
SCHEMBL16105836 0.79 SHBG (0.46) KDM4ECYP3A4ESR1ESR2CYP19A1
SCHEMBL4832407 0.78 KDM4E (0.44) KDM4ECYP3A4MAPTLOXL2HTR7
SCHEMBL26802012 0.78 KDM4E (0.44) KDM4ECYP3A4MAPTLOXL2HTR7
SCHEMBL1253514 0.77 HTR7 (0.50) KDM4ECYP3A4MAPTLOXL2HTR7
SCHEMBL14872331 0.77 SLC6A4 (0.44) KDM4ECYP3A4MAPTLOXL2HTR7

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
US-8173628-B2 Therapy for hormone sensitive diseases; side effect reduction; anticancer agents; osteoporosis; endometriosis; benign prostatic hyperplasia; cardiovascular disorders; acne NORTHEASTERN UNIVERSITY (US) 2012-05-08 US disclosed
US-8173628-B2 Therapy for hormone sensitive diseases; side effect reduction; anticancer agents; osteoporosis; endometriosis; benign prostatic hyperplasia; cardiovascular disorders; acne NORTHEASTERN UNIVERSITY (US) 2012-05-08 US disclosed
US-20080166301-A1 Steroidal antiestrogens and antiandrogens and uses thereof NORTHEASTERN UNIVERSITY 2008-07-10 US disclosed
US-20080166301-A1 Steroidal antiestrogens and antiandrogens and uses thereof NORTHEASTERN UNIVERSITY 2008-07-10 US 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-20080166301-A1 Steroidal antiestrogens and antiandrogens and uses thereof NR5A1, SHBG, AR KDM4E 1437/4885CYP3A4 2151/4885MAPT 4763/4885

“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.