SCHEMBL3925716

SCHEMBL3925716

COc1ccc(C)cc1C(=O)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.61
▸ HTT P42858 2/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ GAA P10253 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.55
▸ POLB P06746 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SRC P12931 2/20 0.48
▸ TGFBR1 P36897 2/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ PDE10A Q9Y233 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL30785051 0.90 MAPT (0.69) MAPTHTTNPSR1GAATP53
SCHEMBL30785080 0.86 MAPT (0.46) MAPTHTTNPSR1GAATP53
SCHEMBL11576626 0.85 MAPT (0.78) MAPTHTTNPSR1GAAALDH1A1
SCHEMBL17193969 0.84 MAPT (0.58) MAPTHTTNPSR1GAAALDH1A1
SCHEMBL3964231 0.83 TP53 (0.66) MAPTHTTNPSR1GAATP53
SCHEMBL30785077 0.83 TP53 (0.66) MAPTHTTNPSR1GAATP53
SCHEMBL9212883 0.83 PTGDR2 (0.57) MAPTGAATP53SMN1; SMN2KMT2A
SCHEMBL9726812 0.82 ACHE (0.58) MAPTHTTNPSR1GAATP53
SCHEMBL5988932 0.82 MAPT (0.55) MAPTHTTNPSR1GAAALDH1A1
SCHEMBL14099187 0.81 LMNA (0.50) MAPTHTTTP53ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176841-A1 NOVEL 6-5 SYSTEM BICYCLIC HETEROCYCLIC DERIVATIVE AND ITS PHARMACEUTICAL UTILITY SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2009-07-09 — — US disclosed
EP-2036887-A1 NOVEL 6-5 BICYCIC HETEROCYCLIC DERIVATIVE AND MEDICAL USE THEREOF Sanwa Kagaku Kenkyusho Co., Ltd (JP) 2009-03-18 — — EP 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-20090176841-A1 NOVEL 6-5 SYSTEM BICYCLIC HETEROCYCLIC DERIVATIVE AND ITS PHARMACEUTICAL UTILITY TSHR, TRHR, THRA MAPT 4643/4885HTT 1540/4885NPSR1 154/4885

“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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