SCHEMBL3438249

SCHEMBL3438249

O=Cc1ccc(C2CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ESR2 Q92731 8/20 0.44
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
CYP2A6 P11509 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL10740141 0.98 HTT (0.44) HDAC1HDAC8HDAC6ESR2TRIM24
SCHEMBL547869 0.98 HTT (0.44) HDAC1HDAC8HDAC6ESR2TRIM24
SCHEMBL11678689 0.98 HTT (0.44) HDAC1HDAC8HDAC6ESR2TRIM24
SCHEMBL3243130 0.98 ESR2 (0.46) HDAC1HDAC8HDAC6ESR2TRIM24
SCHEMBL19218160 0.91 CYP2A6 (0.44) ESR2TRIM24TRIM33CYP2A6HSD17B10
SCHEMBL741455 0.91 CYP2A6 (0.44) ESR2TRIM24TRIM33CYP2A6HSD17B10
SCHEMBL4453448 0.87 KMT2A (0.39) HDAC1HDAC8HDAC6ESR2LMNA
SCHEMBL21752934 0.87 HAO1 (0.48) HDAC1HDAC8HDAC6LMNAHTT
SCHEMBL2320728 0.84 NPC1 (0.47) ESR2TRIM24TRIM33CYP2A6HSD17B10
SCHEMBL11824617 0.83 ESR2 (0.62) ESR2TRIM24TRIM33CYP2A6HSD17B10

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230039846-A1 COMPOUNDS AND METHODS OF USE FERRO THERAPEUTICS INC (US) 2023-02-09 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20190263802-A1 COMPOUNDS AND METHOD OF USE MOLECULAR SKIN THERAPEUTICS, INC. 2019-08-29 US disclosed
CN-103102251-B Radiation-ray sensitive composition MITSUBISHI GAS CHEMICAL INC. (JP) 2016-01-20 CN disclosed
CN-103958455-A Cyclic compound, method for producing same, radiation-sensitive composition, and method for forming resist pattern MITSUBISHI GAS CHEMICAL CO 2014-07-30 CN disclosed
CN-103946204-A Cyclic compound, method for producing same, radiation-sensitive composition, and method for forming resist pattern MITSUBISHI GAS CHEMICAL CO 2014-07-23 CN disclosed
EP-2341044-B1 CYCLOALKYLAMINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2014-02-26 EP disclosed
CN-101528653-B Radiation-sensitive composition MITSUBISHI GAS CHEMICAL CO 2013-09-11 CN disclosed
CN-103102251-A Radiation-sensitive composition MITSUBISHI GAS CHEMICAL CO 2013-05-15 CN disclosed
CN-102753509-A Cyclic compound, process for production of the cyclic compound, radiation-sensitive composition, and method for formation of resist pattern MITSUBISHI GAS CHEMICAL CO 2012-10-24 CN disclosed
WO-2007090752-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
EP-1810957-A1 METHOD FOR PRODUCING 2-BENZYLPHENOL COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2007-07-25 EP disclosed
CN-1993323-A Indole, indazole or indoline derivatives HOFFMANN LA ROCHE (CH) 2007-07-04 CN disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 WO disclosed
CN-1168365-A Cyclopentyl derivatives ROLIC AG (CH) 1997-12-24 CN disclosed
EP-0789067-A1 Cyclopentyl derivatives useful as liquid crystals Rolic AG (CH) 1997-08-13 EP disclosed
US-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 US disclosed
US-3966678-A Maleic anhydride-polyaldimine prepolymers RHONE-POULENC S.A. (FR) 1976-06-29 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 (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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP HDAC1 86/4885HDAC8 425/4885HDAC6 401/4885
US-20230039846-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 HDAC1 1197/4885HDAC8 322/4885HDAC6 510/4885
US-20190263802-A1 COMPOUNDS AND METHOD OF USE AIFM2, GPX4, GPX1 HDAC1 1365/4885HDAC8 381/4885HDAC6 492/4885

“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.