SCHEMBL2392675

SCHEMBL2392675

O=C(CCCl)c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
ABL1 P00519 1/20 0.65
POLB P06746 1/20 0.65
ALPI P09923 1/20 0.65
GAA P10253 1/20 0.65
ALPG P10696 1/20 0.65
APEX1 P27695 1/20 0.65
CASP3 P42574 1/20 0.65
RECQL P46063 1/20 0.65
BLM P54132 1/20 0.65
CASP7 P55210 1/20 0.65
CASP6 P55212 1/20 0.65
MCL1 Q07820 1/20 0.65
RIN1 Q13671 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
HSD17B3 P37058 8/20 0.63

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
SCHEMBL862889 0.87 NPC1 (0.76) NPC1RAB9AKDM4EALDH1A1ABL1
SCHEMBL7939950 0.85 NPC1 (0.81) NPC1RAB9AKDM4EALDH1A1ABL1
SCHEMBL10964996 0.85 NPC1 (0.73) NPC1RAB9AKDM4EALDH1A1ABL1
SCHEMBL653535 0.82 GSK3B (0.68) NPC1RAB9AKDM4EALDH1A1L3MBTL1
SCHEMBL9712507 0.82 GSK3B (0.68) NPC1RAB9AKDM4EALDH1A1L3MBTL1
SCHEMBL124008 0.81 NPC1 (0.91) NPC1RAB9AKDM4EALDH1A1ABL1
SCHEMBL2968369 0.81 GSK3B (0.67) NPC1RAB9AKDM4EALDH1A1ABL1
SCHEMBL8733595 0.81 NPC1 (1.00) NPC1RAB9AKDM4EALDH1A1ABL1
SCHEMBL2337097 0.80 KMT2A (0.64) NPC1RAB9AALDH1A1POLBL3MBTL1
SCHEMBL117311 0.80 NPC1 (0.69) NPC1RAB9AALDH1A1L3MBTL1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117721474-A Cleaning agent for chip after chemical mechanical polishing, preparation method and application thereof 江苏奥首材料科技有限公司 2024-03-19 CN claimed
CN-116283619-A Salbutamol sulfate impurity and preparation method thereof 河北广祥制药有限公司 2023-06-23 CN claimed
WO-2021062048-A2 METHODS AND SYSTEMS FOR MODULATING HEPATIC GABA PRODUCTION OR RELEASE TO ALTER FOOD INTAKE IN MONOGASTRIC SPECIES ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-04-01 WO claimed
US-12161624-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B NOVARTIS AG (CH) 2024-12-10 US disclosed
CN-117721474-A Cleaning agent for chip after chemical mechanical polishing, preparation method and application thereof 江苏奥首材料科技有限公司 2024-03-19 CN disclosed
CN-116283619-A Salbutamol sulfate impurity and preparation method thereof 河北广祥制药有限公司 2023-06-23 CN disclosed
CN-116283619-A Salbutamol sulfate impurity and preparation method thereof 河北广祥制药有限公司 2023-06-23 CN disclosed
WO-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 WO disclosed
US-20230128194-A1 METHODS AND COMPOSITIONS TO ALTER HEPATIC GABA RELEASE TO TREAT OBESITY-RELATED CONDITIONS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2023-04-27 US disclosed
US-20230012073-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B CADENT THERAPEUTICS, INC. (US) 2023-01-12 US disclosed
US-20230012073-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B CADENT THERAPEUTICS, INC. (US) 2023-01-12 US disclosed
US-6576645-B1 Such as 3-(4-chloro-1-(4-(2-(2-hydroxyethoxy)ethoxy)phenyl)--2-phenylbut-1 -enyl)phenol; producing tissue specific estro-genic and/or antiestrogenic effect HORMOS MEDICAL OY LTD (FI) 2003-06-10 US disclosed
EP-0038071-B1 NEW UNLABELLED AND RADIOACTIVE LABELLED DERIVATIVES OF BUTYLAMINO PROPIOPHENONE, THEIR PREPARATION, IMMUNOGENS OBTAINED FROM THE UNLABELLED DERIVATIVES AND A PROCESS FOR IMMUNOGEN PREPARATION, ANTISERA RAISED USING THE IMMUNOGENS AND A METHOD FOR RAISING ANTISERA, A RADIOIMMUNOASSAY METHOD AND A TEST KIT FOR USE IN THE ASSAY METHOD THE WELLCOME FOUNDATION LIMITED (GB) 1984-11-14 EP disclosed
US-4356165-A Bupropion radioimmunoassay, and kit BURROUGHS WELLCOME CO. (US) 1982-10-26 US disclosed
US-4355179-A Radioactive nuclide labeled propiophenone compounds BURROUGHS WELLCOME CO. (US) 1982-10-19 US disclosed
US-4347177-A Compounds and methods of making them BURROUGHS WELLCOME CO. (US) 1982-08-31 US disclosed
US-4347382-A 3H Labeled compounds BURROUGHS WELLCOME CO. (US) 1982-08-31 US disclosed
US-4347178-A Compounds and methods of making BURROUGHS WELLCOME CO. (US) 1982-08-31 US disclosed
US-4347176-A Compounds and methods of making same BURROUGHS WELLCOME CO. (US) 1982-08-31 US disclosed
EP-0038071-A2 New unlabelled and radioactive labelled derivatives of butylamino propiophenone, their preparation, immunogens obtained from the unlabelled derivatives and a process for immunogen preparation, antisera raised using the immunogens and a method for raising antisera, a radioimmunoassay method and a test kit for use in the assay method THE WELLCOME FOUNDATION LIMITED (GB) 1981-10-21 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 (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-20230012073-A1 SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B GRIN2A, GRIN2C, GRIN3A NPC1 710/4885RAB9A 3086/4885KDM4E 1904/4885
US-12161624-B2 Selective octahydro-cyclopenta[c]pyrrole negative modulators of NR2B GRIN2A, GRIN2C, GRIN3A NPC1 710/4885RAB9A 3086/4885KDM4E 1904/4885

“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.