SCHEMBL3433833

SCHEMBL3433833

Cc1ccccc1OCCCCl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
DRD2 P14416 2/20 0.54
DRD4 P21917 2/20 0.54
TDP1 Q9NUW8 3/20 0.53
ALDH1A1 P00352 3/20 0.53
DRD3 P35462 1/20 0.51
MAPT P10636 4/20 0.50
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 2/20 0.50
HTT P42858 2/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GLA P06280 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL6304558 0.94 ALDH1A1 (0.56) CYP2D6CYP2C19DRD2DRD4TDP1
SCHEMBL20530525 0.92 ALDH1A1 (0.58) CYP2D6CYP2C19DRD2DRD4TDP1
SCHEMBL20530589 0.92 ALDH1A1 (0.58) CYP2D6CYP2C19DRD2DRD4TDP1
SCHEMBL5825166 0.91 ALDH1A1 (0.53) CYP2D6CYP2C19DRD2DRD4TDP1
SCHEMBL9808080 0.89 ALDH1A1 (0.62) CYP2D6CYP2C19DRD2DRD4TDP1
SCHEMBL11679951 0.89 CYP2D6 (0.61) CYP2D6CYP2C19DRD2DRD4TDP1
SCHEMBL1592876 0.86 TDP1 (0.60) CYP2D6CYP2C19DRD2DRD4TDP1
SCHEMBL28959994 0.84 HPGD (0.45) CYP2D6CYP2C19DRD2DRD4TDP1
SCHEMBL11097405 0.84 KDM4E (0.54) CYP2C19TDP1ALDH1A1MAPTLMNA
SCHEMBL1071252 0.83 CYP2C19 (0.62) CYP2D6CYP2C19DRD2DRD4TDP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108368194-B Method for producing (meth) acryloyl group-terminated polyisobutylene polymer 株式会社钟化 2021-03-19 CN disclosed
US-10604598-B2 Method of producing (meth)acryloyl-terminated polyisobutylene polymer KANEKA CORPORATION (JP) 2020-03-31 US disclosed
US-20180362676-A1 METHOD OF PRODUCING (METH)ACRYLOYL-TERMINATED POLYISOBUTYLENE POLYMER KANEKA CORPORATION (JP) 2018-12-20 US disclosed
EP-3388454-A1 METHOD OF PRODUCING (METH)ACRYLOYL-TERMINATED POLYISOBUTYLENE POLYMER Kaneka Corporation (JP) 2018-10-17 EP disclosed
WO-2012062229-A1 A METHOD OF MANUFACTURING (-)-L-(3-HYDROXYPROPYL)-5-[(2R)-2-({2,2,2-TRIFLUOROETHOXY)- PHENOXYETHYL}AMINO)PROPYL]-2,3-DIHYDRO-LH-INDOLE-7-CARBOXAMIDE ZENTIVA, K.S. (CZ) 2012-05-18 WO disclosed
US-8163907-B2 Dihydropyridine calcium antagonist compounds, preparation methods, and medical uses thereof COSUNTER PHARMACEUTICAL COMPANY (CN) 2012-04-24 US disclosed
US-20110201811-A1 DIHYDROPYRIDINE CALCIUM ANTAGONIST COMPOUNDS, PREPARATION METHODS, AND MEDICAL USES THEREOF COSUNTER PHARMACEUTICAL COMPANY (CN) 2011-08-18 US disclosed
US-4950674-A Arylalkylheterocyclic amines,N-substituted by aryloxyalkyl group in a method for allergy treatment A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-21 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 (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-20110201811-A1 DIHYDROPYRIDINE CALCIUM ANTAGONIST COMPOUNDS, PREPARATION METHODS, AND MEDICAL USES THEREOF RYR1, CACNA1E, CACNA1C CYP2D6 378/4885CYP2C19 1098/4885DRD2 229/4885

“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.