SCHEMBL1287637

SCHEMBL1287637

[CH2]c1ccccc1CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
CYP2A6 P11509 1/20 0.42
HTR2A P28223 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
ABCB1 P08183 2/20 0.42
ADRB2 P07550 1/20 0.42

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
SCHEMBL5869932 0.87 TAAR1 (0.35) HTR1ADRD2HTR2ATAAR1IDO1
SCHEMBL55137 0.82 HTR1A (0.58) HTR1ADRD2MAOAMAOBALDH1A1
SCHEMBL1287474 0.78 CALM1 (0.52) DRD2HPGDALOX15HSD17B10HTR2A
SCHEMBL10719547 0.77 LIPG (0.34) HTR2ATAAR1
SCHEMBL5542565 0.76 HTR1A (0.48) HTR1ADRD2MAOAMAOBALDH1A1
SCHEMBL5541602 0.76 HTR1A (0.48) HTR1ADRD2MAOAMAOBALDH1A1
SCHEMBL10793973 0.76 HTR1A (0.48) HTR1ADRD2MAOAMAOBALDH1A1
Ethylene SCHEMBL7025277 0.76 ALDH1A1 (0.61) MAOAMAOBALDH1A1HPGDALOX15
Ethylene SCHEMBL16239286 0.76 ALDH1A1 (0.61) MAOAMAOBALDH1A1HPGDALOX15
SCHEMBL9741303 0.76 ALDH1A1 (0.69) MAOAMAOBALDH1A1HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723743-B1 TREATING PATIENT SUFFERING FROM RHEUMATOID ARTHRITIS, PSORIASIS, BRONCHIAL ASTHMA, ALZHEIMER'S DISEASE, MYOCARDIAL INFARCTION OR ATHEROSCLEROSIS NEUROGEN CORPORATION 2004-04-20 US claimed
CN-111491963-B Method for producing (meth) acrylic composition, coating material containing (meth) acrylic composition, and cured body 三菱瓦斯化学株式会社 2023-04-28 CN disclosed
CN-113710750-B (meth) acrylic composition, coating material containing same, and cured product 三菱瓦斯化学株式会社 2022-07-12 CN disclosed
US-20220145118-A1 (METH)ACRYLIC COMPOSITION, PAINT AND CURING AGENT COMPRISING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2022-05-12 US disclosed
US-11326073-B1 (meth)acrylic composition, paint and curing agent comprising same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2022-05-10 US disclosed
CN-113710750-A (meth) acrylic composition, coating material containing same, and cured product 三菱瓦斯化学株式会社 2021-11-26 CN disclosed
WO-2021195723-A1 \"METHODS FOR TREATMENT OF CORONAVIRUS INFECTIONS\ THE COUNCIL OF THE QUEENSLAND INSTITUTE OF MEDICAL RESEARCH (AU) 2021-10-07 WO disclosed
CN-108603953-B Light diffusing agent, light diffusing resin composition, and molded article 三菱瓦斯化学株式会社 2021-08-24 CN disclosed
US-20210186905-A1 ENHANCING T-CELL FUNCTION AND TREATING A T-CELL DYSFUNCTIONAL DISORDER WITH A COMBINATION OF AN LSD INHIBITOR AND A PD-1 BINDING ANTAGONIST EPIAXIS THERAPEUTICS PTY LTD (AU) 2021-06-24 US disclosed
US-20210121496-A1 METHODS AND COMPOSITIONS FOR MODULATING CANCER STEM CELLS EpiAxis Therapeutics Pty Ltd. (AU) 2021-04-29 US disclosed
WO-1999013895-A1 POLYPEPTIDE COMPOSITIONS THAT INHIBIT POTASSIUM CHANNEL ACTIVITY AND USES THEREFOR UNIVERSITY OF FLORIDA (US) 1999-03-25 WO disclosed
WO-1998023639-A2 ShK TOXIN COMPOSITIONS AND METHODS OF USE UNIVERSITY OF FLORIDA (US) 1998-06-04 WO disclosed
US-5506227-A USEFUL AS ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND CYTOPROTECTIVE AGENTS MERCK FROSST CANADA, INC. (CA) 1996-04-09 US disclosed
EP-0639181-A1 PYRIDINE-SUBSTITUTED BENZYL ALCOHOLS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1995-02-22 EP disclosed
EP-0636124-A1 3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1995-02-01 EP disclosed
WO-1993021168-A1 THIAZOLE-SUBSTITUTED BENZYL ALCOHOLS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1993-10-28 WO disclosed
WO-1993021169-A1 BENZOTHIAZOLE-SUBSTITUTED BENZYL ALCOHOLS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1993-10-28 WO disclosed
WO-1993021170-A1 3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1993-10-28 WO disclosed
WO-1993021158-A1 PYRIDINE-SUBSTITUTED BENZYL ALCOHOLS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1993-10-28 WO disclosed
US-4710454-A CONTAINING PHOSPHONIC ACID AND POLYACRYLIC DERIVATIVE AGFA-GEVAERT AKTIENGESELLSCHAFT, A CORP. OF GERMANY (DE) 1987-12-01 US 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-20210186905-A1 ENHANCING T-CELL FUNCTION AND TREATING A T-CELL DYSFUNCTIONAL DISORDER WITH A COMBINATION OF AN LSD INHIBITOR AND A PD-1 BINDING ANTAGONIST PDCD1, CD274, PDCD1LG2 HTR1A 68/4885DRD2 262/4885MAOA 54/4885
US-20210121496-A1 METHODS AND COMPOSITIONS FOR MODULATING CANCER STEM CELLS BMI1, KDM1B, KDM6B HTR1A 4221/4885DRD2 4799/4885MAOA 3132/4885

“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.