SCHEMBL195477

SCHEMBL195477

[c]1cc2cccccc-2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPK1 P28482 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
HSD17B10 Q99714 3/20 0.38
BCL2L1 Q07817 2/20 0.38
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
CYP3A4 P08684 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NOTUM Q6P988 1/20 0.38
MMP3 P08254 1/20 0.38
BACE1 P56817 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SCN4A P35499 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL27385746 0.97 ALDH1A1 (0.50) ALDH1A1MAPK1RAB9ANPC1HSD17B10
SCHEMBL619546 0.84 ALDH1A1 (0.53) ALDH1A1MAPK1RAB9ANPC1HSD17B10
SCHEMBL2960 0.82 ALDH1A1 (0.50) ALDH1A1MAPK1RAB9ANPC1HSD17B10
SCHEMBL21382696 0.82 ALDH1A1 (0.50) ALDH1A1MAPK1HSD17B10BCL2L1CYP1A2
SCHEMBL28980880 0.82 ALDH1A1 (0.50) ALDH1A1MAPK1HSD17B10BCL2L1CYP1A2
SCHEMBL2450702 0.82 ALDH1A1 (0.50) ALDH1A1MAPK1HSD17B10BCL2L1CYP1A2
SCHEMBL2448213 0.80 ALDH1A1 (0.47) ALDH1A1MAPK1HSD17B10BCL2L1CYP1A2
SCHEMBL2448958 0.80 MAOA (0.48) ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL24983 0.80 ALDH1A1 (0.47) ALDH1A1MAPK1HSD17B10BCL2L1CYP1A2
SCHEMBL4624349 0.78 ALDH1A1 (0.53) ALDH1A1MAPK1RAB9ANPC1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294246-B2 Substituted boronic acids and boronate esters as immunoproteasome inhibitors MERCK PATENT GMBH (DE) 2019-05-21 US claimed
US-9278146-B2 Peptide derivative and use of the same KYOTO UNIVERSITY (JP) 2016-03-08 US claimed
WO-2013045495-A1 PYRANO[3,2-c][2]BENZOPYRAN-6(2H)-ONE DERIVATIVES AND USES THEREOF PROUS INSTITUTE FOR BIOMEDICAL RESEARCH, S.A. (ES) 2013-04-04 WO claimed
EP-2573088-A1 Pyrano[3,2-c]benzopyran-6(2h)-one derivatives and uses thereof Prous Institute for Biomedical Research, S.A. (ES) 2013-03-27 EP claimed
US-20110003757-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING FATTY LIVER DISEASE ASTELLAS PHARMA INC. (JP) 2011-01-06 US claimed
EP-2236137-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF FATTY LIVER DISEASES Astellas Pharma Inc. (JP) 2010-10-06 EP claimed
US-20090005390-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR USE NEUROSEARCH A/S 2009-01-01 US claimed
US-20050245567-A1 Novel quinuclidine derivatives and their use NEUROSEARCH A/S (DK) 2005-11-03 US claimed
EP-1532144-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2005-05-25 EP claimed
WO-2004016608-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2004-02-26 WO claimed
WO-2024139061-A1 METHOD FOR SYNTHESIZING AMIDE AND/OR POLYPEPTIDE WITH UNPROTECTED AMINO ACID AS AMINE COMPONENT 广州医科大学 2024-07-04 WO disclosed
CN-118256177-A Composition for forming adhesive layer, laminate, method for producing adhesive layer, method for producing laminate, and method for treating laminate 日铁化学材料株式会社 2024-06-28 CN disclosed
CN-118255947-A (Meth) acrylic acid copolymer and method for producing same 日铁化学材料株式会社 2024-06-28 CN disclosed
CN-118109145-A Adhesive composition, adhesive layer, polarizing plate with adhesive layer, and display device 住友化学株式会社 2024-05-31 CN disclosed
CN-110361942-B Electrophotographic photoreceptor, process cartridge, image forming apparatus, and imide compound 富士胶片商业创新有限公司 2024-04-05 CN disclosed
US-5846991-A Pyrazole derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-08 US disclosed
US-5840909-A Pyrazole derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-24 US disclosed
US-5817828-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS; VISION DEFECTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-06 US disclosed
US-5721264-A EXHIBIT ANTAGONISTIC EFFECT AGAINST ANGIOTENSIN II; USEFUL FOR PREVENTION AND REMEDY OF HYPERTENSION, CONGESTIVE HEARTFAILURE, CHRONIC RENAL INSUFFICIENCY, ALDOSTERONISM NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-24 US disclosed
EP-0693480-A1 PYRAZOLE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-01-24 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 (4 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-20110003757-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATING FATTY LIVER DISEASE SLC5A1, SLC5A2, SLC10A1 ALDH1A1 85/4885MAPK1 2313/4885RAB9A 3676/4885
US-20090005390-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR USE ACHE, CHRNA5, CHRNA3 ALDH1A1 1095/4885MAPK1 1497/4885RAB9A 1136/4885
US-20050245567-A1 Novel quinuclidine derivatives and their use ACHE, CHRNA5, CHRNA3 ALDH1A1 1095/4885MAPK1 1497/4885RAB9A 1136/4885
US-10294246-B2 Substituted boronic acids and boronate esters as immunoproteasome inhibitors PSMB7, PSMA7, PSMB11 ALDH1A1 2896/4885MAPK1 1758/4885RAB9A 1261/4885

“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.