SCHEMBL4825666

SCHEMBL4825666

COC1(Cc2ccccc2)CCC(=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ CYP46A1 Q9Y6A2 1/20 0.40
▸ GRIN2B Q13224 3/20 0.40
▸ AR P10275 2/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ TACR1 P25103 1/20 0.37
▸ TACR3 P29371 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ KCNA3 P22001 2/20 0.36
▸ NR3C1 P04150 1/20 0.36

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
SCHEMBL16601016 0.82 MAOA (0.45) HSD17B3MAOAMAOBCYP46A1GRIN2B
SCHEMBL18727495 0.80 MAOA (0.44) HSD17B3MAOAMAOBCYP46A1GRIN2B
SCHEMBL376968 0.79 MEN1 (0.36) MEN1CYP2C9KMT2AALOX5KCNA3
SCHEMBL376839 0.78 KMT2A (0.36) MEN1CYP2C9KMT2A
SCHEMBL376843 0.78 POLB (0.38) MEN1CYP2C9KMT2AGRIN2B
SCHEMBL376658 0.78 TAAR1 (0.37) MEN1CYP2C9KMT2AALOX5KCNA3
SCHEMBL1725213 0.78 LMNA (0.41) MEN1CYP2C9KMT2AMAOAMAOB
SCHEMBL1574471 0.77 TACR1 (0.44) MEN1CYP2C9KMT2AMAOAMAOB
SCHEMBL11474711 0.77 MEN1 (0.47) MEN1CYP2C9KMT2AMAOAMAOB
Hydrochloric Acid SCHEMBL3251338 0.76 TACR1 (0.43) MEN1CYP2C9KMT2AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449485-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES INC. (US) 2008-11-11 — — US disclosed
US-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2008-06-19 — — US disclosed
US-7358251-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES (US) 2008-04-15 — — US disclosed
EP-1487811-B1 N-SULFONYLUREA APOPTOSIS PROMOTERS ABBOTT LAB (US) 2007-09-05 — — EP disclosed
US-7030115-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES (US) 2006-04-18 — — US disclosed
US-20060074085-A1 N-sulfonylurea apoptosis promoters ABBVIE INC. 2006-04-06 — — US disclosed
EP-1487811-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS Abbott Laboratories (US) 2004-12-22 — — EP disclosed
US-20030236247-A1 N-sulfonylurea apoptosis promoters ABBVIE INC. 2003-12-25 — — US disclosed
WO-2003080586-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2003-10-02 — — WO 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 (3 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-20080146572-A1 N-SULFONYLUREA APOPTOSIS PROMOTERS BAX, BCL2, BAD HSD17B3 3347/4885MEN1 4581/4885CYP2C9 4514/4885
US-20060074085-A1 N-sulfonylurea apoptosis promoters BAX, BCL2, BAD HSD17B3 3347/4885MEN1 4581/4885CYP2C9 4514/4885
US-20030236247-A1 N-sulfonylurea apoptosis promoters BAX, BCL2, AIFM1 HSD17B3 3160/4885MEN1 4379/4885CYP2C9 4477/4885

“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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