SCHEMBL4647615

SCHEMBL4647615

C[C](C)Oc1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ FAAH O00519 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ CXCL8 P10145 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ RHEB Q15382 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL247351 0.82 PTGS2 (0.57) KMT2ATDP1FAAHALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL4479016 0.80 PTGS2 (0.55) KMT2ATDP1FAAHALDH1A1SMN1; SMN2
SCHEMBL5691679 0.79 KMT2A (0.47) KMT2ATDP1FAAHALDH1A1SMN1; SMN2
SCHEMBL6903312 0.77 ELANE (0.49) KMT2ATDP1FAAHALDH1A1SMN1; SMN2
SCHEMBL18697277 0.76 FAAH (0.49) KMT2AL3MBTL1FAAHALDH1A1SMN1; SMN2
SCHEMBL57243 0.76 FAAH (0.49) KMT2AL3MBTL1FAAHALDH1A1SMN1; SMN2
SCHEMBL2940941 0.76 FAAH (0.49) KMT2AL3MBTL1FAAHALDH1A1SMN1; SMN2
SCHEMBL29585912 0.76 FAAH (0.49) KMT2AL3MBTL1FAAHALDH1A1SMN1; SMN2
SCHEMBL57244 0.74 FAAH (0.51) KMT2AL3MBTL1FAAHALDH1A1SMN1; SMN2
SCHEMBL6966435 0.74 FAAH (0.47) KMT2AL3MBTL1FAAHALDH1A1SMN1; 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675830-A4 HETEROCYCLIC AMIDES AND SULFONAMIDES SCIOS INC (US) 2008-08-20 — — EP disclosed
US-20060199821-A1 Heterocyclic amides and sulfonamides SCIOS, INC. (US) 2006-09-07 — — US disclosed
EP-1675830-A2 HETEROCYCLIC AMIDES AND SULFONAMIDES SCIOS INC. (US) 2006-07-05 — — EP disclosed
WO-2005033072-A2 HETEROCYCLIC AMIDES AND SULFONAMIDES SCIOS INC. (US) 2005-04-14 — — WO disclosed
US-5401768-A Prostaglandin derivative, antiulcer, hypotensive, anticoagulant TORAY INDUSTRIES, INC. (JP) 1995-03-28 — — US disclosed
EP-0365678-B1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES (JP) 1994-01-05 — — EP disclosed
EP-0389162-B1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES (JP) 1993-12-08 — — EP disclosed
US-5086071-A Improved chemical stability and ppotent in vivo TORAY INDUSTRIES, INC. (JP) 1992-02-04 — — US disclosed
EP-0232776-B1 2,5,6,7-TETRANOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1990-10-24 — — EP disclosed
EP-0389162-A1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1990-09-26 — — EP disclosed
EP-0365678-A1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1990-05-02 — — EP disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 — — US disclosed
EP-0232776-A2 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1987-08-19 — — 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-20060199821-A1 Heterocyclic amides and sulfonamides MAP4K2, MAP3K8, MAP3K2 KMT2A 805/4885L3MBTL1 3403/4885TDP1 2714/4885

“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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