SCHEMBL689304

SCHEMBL689304

CC(C)c1cccc(C(C)C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX12 P18054 2/20 0.42
HTT P42858 2/20 0.42
MDM4 O15151 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
TYR P14679 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CA5A P35218 1/20 0.42
MDM2 Q00987 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA9 Q16790 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
Water SCHEMBL28033897 0.83 HDAC4 (0.54) HDAC4HDAC8KDM4EALDH1A1ALOX12
Water SCHEMBL9322811 0.83 HDAC4 (0.54) HDAC4HDAC8KDM4EALDH1A1ALOX12
Water SCHEMBL9322821 0.83 HDAC4 (0.54) HDAC4HDAC8KDM4EALDH1A1ALOX12
SCHEMBL6557765 0.81 ALDH1A1 (0.47) ALDH1A1HPGDTSHRTRPA1ESR1
SCHEMBL374780 0.81 HDAC4 (0.56) HDAC4HDAC8KDM4EALDH1A1ALOX12
SCHEMBL16321509 0.79 GAA (0.41) ALDH1A1HTTCYP3A4MAPTHPGD
SCHEMBL14991566 0.79 GAA (0.41) ALDH1A1HTTCYP3A4MAPTHPGD
SCHEMBL7554338 0.79 ESR1 (0.58) KDM4EALDH1A1CA2CYP3A4TYR
SCHEMBL1886385 0.79 CYP3A4 (0.42) KDM4EALDH1A1CA1CA2TP53
SCHEMBL957610 0.79 IDO1 (0.41) ALDH1A1CYP3A4SMN1; SMN2TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120137139-A Bis (1-isocyanato-1-methylethyl) benzene composition and preparation method and application thereof 万华化学集团股份有限公司 2025-06-13 CN disclosed
US-9957275-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2018-05-01 US disclosed
US-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-07-06 US disclosed
US-20160130275-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2016-05-12 US disclosed
US-9238039-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2016-01-19 US disclosed
US-20140154240-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2014-06-05 US disclosed
US-20140072554-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2014-03-13 US disclosed
EP-1606248-B1 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE SPA (IT) 2012-02-29 EP disclosed
US-7737139-B2 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A. (IT) 2010-06-15 US disclosed
CN-100372831-C Sulfonic acids, derivatives thereof and pharmaceutical compositions containing them DOMPE SPA (IT) 2008-03-05 CN disclosed
US-20060258730-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE S.P.A. (IT) 2006-11-16 US disclosed
CN-1761645-A Sulfonic acids, their derivatives and pharmaceutical compositions containing them DOMPE SPA (IT) 2006-04-19 CN disclosed
EP-1606248-A2 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.P.A. (IT) 2005-12-21 EP disclosed
WO-2004080951-A2 SULFONIC ACIDS, THEIR DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE S.P.A. (IT) 2004-09-23 WO disclosed
EP-1457485-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them Dompé S.P.A. (IT) 2004-09-15 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 (6 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-20140154240-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS HDAC4 2429/4885HDAC8 3221/4885KDM4E 2069/4885
US-20170362244-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS HDAC4 2429/4885HDAC8 3221/4885KDM4E 2069/4885
US-20170190708-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS HDAC4 2429/4885HDAC8 3221/4885KDM4E 2069/4885
US-20140072554-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS HDAC4 2429/4885HDAC8 3221/4885KDM4E 2069/4885
US-20160130275-A1 PYRAZOLO[1,5-A]PYRIMIDINES FOR ANTIVIRAL TREATMENT TYMP, ZC3HAV1, TYMS HDAC4 2429/4885HDAC8 3221/4885KDM4E 2069/4885
US-20060258730-A1 Sulfonic acids, their derivatives and pharmaceutical compositions containing them CCR8, CCR1, CXCR1 HDAC4 3603/4885HDAC8 1086/4885KDM4E 4660/4885

“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.