SCHEMBL8921607

SCHEMBL8921607

O=CC=Cc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 2/20 0.54
MAPK1 P28482 2/20 0.52
TRPA1 O75762 1/20 0.52
LMNA P02545 1/20 0.52
ALOX5 P09917 1/20 0.52
HDAC2 Q92769 2/20 0.52
HSD17B10 Q99714 2/20 0.50
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
CYP1A2 P05177 3/20 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
SCHEMBL431858 0.93 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTMAPK1TRPA1
SCHEMBL431859 0.93 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTMAPK1TRPA1
SCHEMBL27976097 0.91 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTMAPK1TRPA1
SCHEMBL2556498 0.84 HDAC3 (0.53) ALDH1A1KDM4EMAPTMAPK1TRPA1
SCHEMBL2556501 0.84 HDAC3 (0.53) ALDH1A1KDM4EMAPTMAPK1TRPA1
SCHEMBL9681143 0.81 AHR (0.64) ALDH1A1KDM4EMAPTMAPK1LMNA
SCHEMBL9681139 0.81 AHR (0.64) ALDH1A1KDM4EMAPTMAPK1LMNA
SCHEMBL1335873 0.81 AHR (0.64) ALDH1A1KDM4EMAPTMAPK1LMNA
SCHEMBL1310216 0.81 ALDH1A1 (0.75) ALDH1A1KDM4EMAPTMAPK1TRPA1
SCHEMBL1310214 0.81 ALDH1A1 (0.75) ALDH1A1KDM4EMAPTMAPK1TRPA1

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-20230357238-A1 COMPOUNDS HAVING ((3-NITROPHENYL)SULFONYL)ACETAMIDE AS BCL-2 INHIBITORS Eil Therapeutics, Inc. (US) 2023-11-09 US disclosed
EP-0802897-A1 NOVEL COMPOUNDS Smithkline Beecham S.p.A. (IT) 1997-10-29 EP disclosed
WO-1996021638-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM S.P.A. (IT) 1996-07-18 WO disclosed
EP-0613890-A1 Novel triazole compound, process for preparing the same and antifungal agent containing the same NIHON NOHYAKU CO., LTD. (JP) 1994-09-07 EP disclosed
US-4804785-A INTERMEDIATES FOR HYDROXYMETHYLOXIRANES BASF AKTIENGESELLSCHAFT (DE) 1989-02-14 US disclosed
US-4723042-A REARRANGEMENT OF AN OXYKETONE USING A PHOSPHORUS COMPOUND BASF AKTIENGESELLSCHAFT (DE) 1988-02-02 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-20230357238-A1 COMPOUNDS HAVING ((3-NITROPHENYL)SULFONYL)ACETAMIDE AS BCL-2 INHIBITORS BCL2, BCL2A1, BCL3 ALDH1A1 662/4885KDM4E 2790/4885MAPT 2798/4885

“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.