SCHEMBL95329

SCHEMBL95329

[CH2]c1cccc(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAOA P21397 1/20 0.50
MGLL Q99685 3/20 0.44
HDAC8 Q9BY41 2/20 0.43
KMO O15229 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
ALOX5 P09917 1/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
MEN1 O00255 2/20 0.40
ESR1 P03372 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
AGXT P21549 1/20 0.40
HSP90AA1 P07900 2/20 0.39

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
SCHEMBL13685090 0.97 MAOA (0.48) ALDH1A1MAOAMGLLHDAC8KMO
SCHEMBL27775798 0.94 HSD17B1 (0.43) ALDH1A1MAOAMGLLHDAC8KMO
SCHEMBL4582202 0.80 NOTUM (0.54) CYP3A4LMNAMAPTNOTUM
SCHEMBL28128672 0.80 HSD17B1 (0.34) MAOAMGLLMEN1ESR1KMT2A
SCHEMBL28167469 0.80 HSD17B1 (0.39) MAOAALOX5MEN1ESR1KMT2A
SCHEMBL4486299 0.80 AGXT (0.47) MEN1ESR1KMT2ACYP3A4CYP2C9
SCHEMBL2094577 0.80 PTPN5 (0.42) ALDH1A1MEN1ESR1KMT2ACYP3A4
SCHEMBL2091157 0.80 CYP1A2 (0.54) ALDH1A1ALOX5MEN1ESR1KMT2A
SCHEMBL19581748 0.80 ALDH1A1 (0.54) ALDH1A1MAOAMEN1ESR1KMT2A
SCHEMBL2837498 0.80 ALDH1A1 (0.53) ALDH1A1MAOAMGLLKMOALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002344-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION FIBROGEN, INC. 2024-01-04 US claimed
CN-116348450-A Compounds, compositions and methods for histone lysine demethylase inhibition 菲布罗根有限公司 2023-06-27 CN claimed
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP claimed
CN-108368041-B (R) -N- (adamantyl-2-yl) pyrrolidine-2-carboxamide derivatives for cosmetic use 帝斯曼知识产权资产管理有限公司 2021-09-07 CN claimed
EP-3390359-B1 (R)-N-(ADAMANTYL-2-YL)PYRROLIDINE-2-CARBOXAMIDE DERIVATIVES FOR COSMETIC USE DSM IP ASSETS BV (NL) 2021-01-27 EP claimed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 EP claimed
US-10611869-B2 Curable composition and cured product AGC Inc. (JP) 2020-04-07 US claimed
US-10470991-B2 (R)-N-(adamantyl-2-yl)pyrrolidine-2-carboxamide derivatives for cosmetic use DSM IP ASSETS B.V. (NL) 2019-11-12 US claimed
US-20190218325-A1 CURABLE COMPOSITION AND CURED PRODUCT AGC Inc. (JP) 2019-07-18 US claimed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 WO claimed
EP-0003336-B1 INSECTICIDAL PERHALOALKYLVINYLCYCLOPROPANECARBOXYLATES FMC Corporation (US) 1984-02-22 EP claimed
EP-0063374-B1 SUBSTITUTED BIPHENYL COMPOUNDS FMC Corporation (US) 1984-02-22 EP claimed
EP-0063374-A1 Substituted biphenyl compounds FMC Corporation (US) 1982-10-27 EP claimed
US-4329518-A INSECTICIDES, ACARICIDES, MITICIDES FMC CORPORATION (US) 1982-05-11 US claimed
EP-0049977-A1 Insecticidal (1,1'-biphenyl)-3-ylmethyl esters, their production and use and compositions containing them FMC Corporation (US) 1982-04-21 EP claimed
EP-0020685-A4 INSECTICIDAL CYCLOPROPANECARBOXYLATES FROM SUBSTITUTED (1,1'-BIPHENYL)-3-YLMETHYL COMPOUNDS. FMC CORP (US) 1981-07-16 EP claimed
EP-0001712-B1 (1,1'-BIPHENYL)-3-YLMETHYL 3-(2,2-DIHALOETHENYL)-2,2-DIMETHYLCYCLOPROPANECARBOXYLATES, AGRICULTURAL COMPOSITIONS AND METHODS OF USE AND MANUFACTURE FMC Corporation (US) 1981-04-15 EP claimed
EP-0020685-A1 INSECTICIDAL CYCLOPROPANECARBOXYLATES FROM SUBSTITUTED (1,1'-BIPHENYL)-3-YLMETHYL COMPOUNDS. FMC CORP (US) 1981-01-07 EP claimed
WO-1980001163-A1 INSECTICIDAL CYCLOPROPANECARBOXYLATES FROM SUBSTITUTED(1,1'-BIPHENYL)-3-YLMETHYL COMPOUNDS FMC CORP (US) 1980-06-12 WO claimed
EP-0003336-A2 Insecticidal perhaloalkylvinylcyclopropanecarboxylates FMC Corporation (US) 1979-08-08 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-10470991-B2 (R)-N-(adamantyl-2-yl)pyrrolidine-2-carboxamide derivatives for cosmetic use HSD3B1, HSD11B1, HSD17B1 ALDH1A1 34/4885MAOA 514/4885MGLL 716/4885
US-20240002344-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION KDM5C, KDM5B, KDM5A ALDH1A1 2449/4885MAOA 1573/4885MGLL 1804/4885

“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.