SCHEMBL13712982

SCHEMBL13712982

Cc1cc(-c2ccccc2C(C)C)on1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ BRD4 O60885 1/20 0.50
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 4/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 1/20 0.42
▸ EGLN2 Q96KS0 1/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL27378990 0.81 RAB9A (0.43) KDM4EALDH1A1USP2TSHRKMT2A
SCHEMBL12305019 0.79 KDM4E (0.60) KDM4EALDH1A1USP2TSHRBRD4
SCHEMBL6425586 0.76 ALDH1A1 (0.57) KDM4EALDH1A1USP2TSHRBRD4
SCHEMBL5649730 0.76 RAB9A (0.66) KDM4EALDH1A1USP2TSHRBRD4
SCHEMBL12305015 0.76 KDM4E (0.57) KDM4EALDH1A1USP2TSHRBRD4
SCHEMBL12305021 0.76 ALDH1A1 (0.57) KDM4EALDH1A1USP2TSHRBRD4
SCHEMBL12305022 0.76 ALDH1A1 (0.57) KDM4EALDH1A1USP2TSHRBRD4
SCHEMBL17069010 0.74 BRD4 (0.64) KDM4EALDH1A1USP2TSHRBRD4
SCHEMBL13712980 0.74 KMT2A (0.47) KDM4ETSHRKMT2AMEN1MAPK1
SCHEMBL354607 0.71 RAB9A (0.61) KDM4EALDH1A1USP2TSHRBRD4

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-7592456-B2 Arylsulfonylnaphthalene derivatives as 5HT2A antagonists MERCK SHARP & DOHME LIMITED (GB) 2009-09-22 — — US disclosed
US-7592456-B2 Arylsulfonylnaphthalene derivatives as 5HT2A antagonists MERCK SHARP & DOHME LIMITED (GB) 2009-09-22 — — US disclosed
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists MERCK SHARPE & DOHME LIMITED (GB) 2007-12-06 — — US disclosed
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists MERCK SHARPE & DOHME LIMITED (GB) 2007-12-06 — — 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-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists HTR2A, HTR2C, HTR1A KDM4E 4020/4885ALDH1A1 548/4885USP2 2461/4885

“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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