SCHEMBL33121

SCHEMBL33121

CC(=O)c1ccc2c(c1)CCC2

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
NPC1 O15118 10/20 0.62
RAB9A P51151 10/20 0.62
MAPT P10636 3/20 0.62
SMN1; SMN2 Q16637 5/20 0.55
NFKB1 P19838 3/20 0.54
NFKB2 Q00653 3/20 0.54
RELA Q04206 3/20 0.54
HSD17B1 P14061 1/20 0.53
TP53 P04637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
KCNJ1 P48048 1/20 0.46
LY96 Q9Y6Y9 1/20 0.46

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
SCHEMBL31048932 0.96 NPC1 (0.67) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1466022 0.96 NPC1 (0.67) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL22627409 0.94 NPC1 (0.65) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL9419020 0.94 NPC1 (0.65) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL21584068 0.91 NPC1 (0.67) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL29793289 0.91 NPC1 (0.67) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL27649495 0.89 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL19231579 0.84 NPC1 (0.58) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL13928814 0.82 NPC1 (0.56) ALDH1A1NPC1RAB9AMAPTHSD17B1
SCHEMBL18637955 0.82 MAPT (0.56) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658656-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES Beone Medicines I GmbH (CH) 2025-12-10 EP disclosed
US-20250346597-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEONE MEDICINES I GMBH (CH) 2025-11-13 US disclosed
US-RE50453-E1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 US disclosed
CN-119638680-A Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-03-18 CN disclosed
CN-119638681-A Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-03-18 CN disclosed
CN-119638682-A Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-03-18 CN disclosed
CN-116323598-B Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-11-15 CN disclosed
CN-111936471-B Non-fused thiophene derivatives and uses thereof 埃尼奥制药公司 2024-10-29 CN disclosed
WO-2024160276-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEIGENE, LTD. (KY) 2024-08-08 WO disclosed
WO-2024024508-A1 COMPOSITION, FILM, OPTICAL FILTER, SOLID STATE IMAGING DEVICE, IMAGE DISPLAY DEVICE, INFRARED RADIATION SENSOR, AND METHOD FOR PRODUCING CAMERA MODULE 富士フイルム株式会社 2024-02-01 WO disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed
WO-1996015100-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1996-05-23 WO disclosed
WO-1996015099-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1996-05-23 WO disclosed
US-4692447-A HYPOTENSIVE, VASODILATOR, ANTITHROMBOTIC, ANTIAGGREGANT, CYTOPROTECTIVE BOEHRINGER BIOCHEMIA ROBIN, S.P.A. (IT) 1987-09-08 US disclosed
CN-85107017-A Preparation three ring pyridazinones dihydro compounds and the method that contains the pharmaceutical composition of this compound 1987-04-01 CN disclosed
US-4613611-A HYPOGLYCEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1986-09-23 US disclosed
EP-0169443-A2 Tricyclic dihydropyridazinones and pharmaceutical compositions contaning them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1986-01-29 EP disclosed
EP-0039025-B1 DERIVATIVES OF ARYL KETONES AS SENSITIZERS OF PHOTOPOLYMERIZABLE COMPOUNDS FOR THE VISIBLE SPECTRAL RANGE, AND PHOTOPOLYMERIZABLE COMPOSITIONS COMPRISING THE SAID SENSITIZERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-03-14 EP disclosed
US-4351893-A TRIARYLIMIDAZOLE DIMER INITIATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-09-28 US disclosed
EP-0039025-A1 Derivatives of aryl ketones as sensitizers of photopolymerizable compounds for the visible spectral range, and photopolymerizable compositions comprising the said sensitizers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-11-04 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 (1 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-20250346597-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES DGKG, DGKA, DGKK ALDH1A1 4075/4885NPC1 1908/4885RAB9A 1548/4885

“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.