SCHEMBL4570831

SCHEMBL4570831

CCNc1cc(C)c(C)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ALDH1A1 P00352 3/20 0.32
HTT P42858 2/20 0.32
POLB P06746 2/20 0.31
THRB P10828 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PGK1 P00558 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL12229096 0.82 MAPT (0.41) RECQLCYP3A4TSHRMAPTLMNA
SCHEMBL27983793 0.80 KDM4E (0.38) RECQLCYP3A4TSHRMAPTLMNA
SCHEMBL5280349 0.78 THRB (0.50) RECQLCYP3A4TSHRMAPTALDH1A1
SCHEMBL18306467 0.77 HDAC1 (0.38) RECQLCYP3A4TSHRMAPTLMNA
SCHEMBL1803111 0.77 ALDH1A1 (0.55) RECQLCYP3A4TSHRMAPTLMNA
SCHEMBL30536438 0.77 ALDH1A1 (0.55) RECQLCYP3A4TSHRMAPTLMNA
SCHEMBL5254728 0.76 ALDH1A1 (0.31) ALDH1A1HTTPOLBTHRB
SCHEMBL12230239 0.74 KMT2A (0.41) RECQLCYP3A4TSHRMAPTLMNA
SCHEMBL16104752 0.74 HTT (0.38) CYP3A4MAPTALDH1A1HTTTHRB
SCHEMBL9172326 0.74 RECQL (0.47) RECQLCYP3A4TSHRMAPTLMNA

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 5 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-20100152081-A1 Fluorosurfactants MERCK PATENT GMBH (DE) 2010-06-17 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 (2 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-20100152081-A1 Fluorosurfactants CBR3, FPR3, NOX3 RECQL 2506/4885CYP3A4 1542/4885TSHR 886/4885
US-20080166301-A1 Steroidal antiestrogens and antiandrogens and uses thereof NR5A1, SHBG, AR RECQL 3588/4885CYP3A4 2151/4885TSHR 547/4885

“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.