SCHEMBL1838731

SCHEMBL1838731

COc1cc(Cl)ccc1C#CCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ TRPV4 Q9HBA0 1/20 0.38
▸ PGK1 P00558 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ SLC6A4 P31645 3/20 0.34
▸ SLC6A2 P23975 2/20 0.34

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
SCHEMBL16791726 0.88 PTGDR2 (0.50) PTGDR2POLBPGK1MEN1KMT2A
SCHEMBL4861567 0.83 ATM (0.47) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL9083244 0.78 PGK1 (0.46) PGK1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL23266142 0.77 ALDH1A1 (0.47) PTGDR2MEN1KMT2AALDH1A1KDM4E
SCHEMBL22075488 0.76 PGK1 (0.38) PGK1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL22075510 0.72 PGK1 (0.38) PTGDR2PGK1ALDH1A1KDM4ECYP1A2
SCHEMBL17577280 0.72 TRPV4 (0.41) PTGDR2POLBTRPV4MEN1KMT2A
SCHEMBL17577284 0.72 TRPV4 (0.41) PTGDR2TRPV4MEN1KMT2AALDH1A1
SCHEMBL31180206 0.72 PGK1 (0.44) POLBPGK1MEN1KMT2AALDH1A1
SCHEMBL16791990 0.72 CYP2A6 (0.50) ALDH1A1KDM4ECYP1A2CYP3A4MAPT

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
US-8263656-B2 Substituted aminotetralines HOFFMANN-LA ROCHE INC. (US) 2012-09-11 — — US disclosed
US-8263656-B2 Substituted aminotetralines HOFFMANN-LA ROCHE INC. (US) 2012-09-11 — — US disclosed
EP-2321266-A2 SUBSTITUTED AMINOTETRALINES F. Hoffmann-La Roche AG (CH) 2011-05-18 — — EP disclosed
WO-2010018109-A2 SUBSTITUTED AMINOTETRALINES F. HOFFMANN-LA ROCHE AG (CH) 2010-02-18 — — WO disclosed
US-20100041713-A1 SUBSTITUTED AMINOTETRALINES FIROOZNIA FARIBORZ 2010-02-18 — — US disclosed
US-20100041713-A1 SUBSTITUTED AMINOTETRALINES FIROOZNIA FARIBORZ 2010-02-18 — — 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-20100041713-A1 SUBSTITUTED AMINOTETRALINES HRH4, HRH1, HRH2 PTGDR2 123/4885POLB 4366/4885TRPV4 1078/4885

“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.

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