SCHEMBL10035779

SCHEMBL10035779

Cc1ccc(-c2ccc[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NISCH Q9Y2I1 1/20 0.42
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
IDO1 P14902 1/20 0.39
PYGM P11217 1/20 0.39
HPGD P15428 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 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
SCHEMBL9419852 0.87 HDAC6 (0.57) HDAC1HDAC6PYGMCHEK1NT5E
SCHEMBL380666 0.79
SCHEMBL18051426 0.79 HDAC1 (0.39) HDAC1HDAC6IDO1PYGMACHE
SCHEMBL27462334 0.78 HDAC1 (0.50) HDAC1HDAC6NPC1ALDH1A1GAA
SCHEMBL80142 0.77 HDAC1 (0.48) HDAC1HDAC6NISCHRAB9ANPC1
Hydrochloric Acid SCHEMBL3824245 0.77 HDAC6 (0.48) HDAC1HDAC6GAAIDO1PYGM
SCHEMBL198093 0.76 CNR1 (0.49) HDAC1HDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL9302892 0.76 HDAC1 (0.48) HDAC1HDAC6SMN1; SMN2MAPTALDH1A1
SCHEMBL1260031 0.76 HDAC1 (0.48) HDAC1HDAC6PYGMCHEK1NT5E
SCHEMBL9188746 0.76 HDAC1 (0.53) HDAC1HDAC6MAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107793455-A A kind of ring iridium (III) metal complex and its preparation method and application 广东医科大学 2018-03-13 CN claimed
CN-107573273-A A kind of preparation method of three substitution, 3 cyanopyrrole analog derivatives 浙江大学 2018-01-12 CN claimed
JP-1268791-A None JP disclosed
CN-119947691-A Composition comprising a photochemical ultraviolet absorber precursor and a compound for increasing the rate of photochemical conversion thereof 罗卡福拉达有限公司 2025-05-06 CN disclosed
EP-3280707-B1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-12-20 EP disclosed
CN-114656654-B Modified lignin self-repairing conductive hydrogel and preparation method and application thereof 江苏理工学院 2023-07-11 CN disclosed
US-20220024869-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF UNIVERSITY OF KANSAS 2022-01-27 US disclosed
US-10975030-B2 Grp94 selective inhibitors and uses thereof UNIVERSITY OF KANSAS (US) 2021-04-13 US disclosed
US-20200071271-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF UNIVERSITY OF SOUTH FLORIDA 2020-03-05 US disclosed
CN-109970708-A Cannibinoid receptor modulators 艾尼纳制药公司 2019-07-05 CN disclosed
CN-103492369-B Cannabinoid receptor modulators 艾尼纳制药公司 2019-03-29 CN disclosed
US-4906758-A Preparation of pyrroles from dialkoxytetrahydrofurans BASF AKTIENGESELLSCHAFT (DE) 1990-03-06 US disclosed
JP-H01268791-A COMPOSITION FOR INHIBITION OF CORROSION IN FUEL SYSTEM, AND METHOD FOR USE AND PREPARATION THEREOF PETROLITE CORP 1989-10-26 JP disclosed
EP-0303206-A2 Process for the preparation of pyrroles BASF Aktiengesellschaft (DE) 1989-02-15 EP disclosed
EP-0140322-B1 POLYMER CATALYST TRANSDUCERS AND USE THEREOF IN TEST KITS FOR ANALYTICAL METHODS MILES INC. (US) 1989-01-25 EP disclosed
EP-0125415-B1 PROCESS FOR THE PRODUCTION OF PYRROLES BASF Aktiengesellschaft (DE) 1986-11-26 EP disclosed
US-4560769-A CATALYTIC CYCLIZATION OF AMMONIA OR AMINE WITH BUT-2-ENE-1,4-DIOL BASF AKTIENGESELLSCHAFT (DE) 1985-12-24 US disclosed
US-4560534-A Polymer catalyst transducers MILES LABORATORIES, INC. (US) 1985-12-24 US disclosed
EP-0140322-A2 Polymer catalyst transducers and use thereof in test kits for analytical methods MILES INC. (US) 1985-05-08 EP disclosed
EP-0125415-A1 Process for the production of pyrroles BASF Aktiengesellschaft (DE) 1984-11-21 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 (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-20200071271-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF GRPR, HSP90B1, HSPE1 HDAC1 3783/4885HDAC6 1847/4885NISCH 3757/4885
US-20220024869-A1 GRP94 SELECTIVE INHIBITORS AND USES THEREOF GRPR, HSP90B1, HSPE1 HDAC1 3783/4885HDAC6 1847/4885NISCH 3757/4885
US-10975030-B2 Grp94 selective inhibitors and uses thereof GRPR, HSP90B1, HSPE1 HDAC1 3783/4885HDAC6 1847/4885NISCH 3757/4885

“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.