SCHEMBL4476581

SCHEMBL4476581

CCC(COC)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
CCR5 P51681 1/20 0.42
CYP2D6 P10635 3/20 0.41
TAAR1 Q96RJ0 2/20 0.41
CYP1A2 P05177 2/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 2/20 0.38
TSHR P16473 2/20 0.38
OPRM1 P35372 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRD1 P41143 1/20 0.37
OPRL1 P41146 1/20 0.37
SCN1A P35498 2/20 0.37
SCN2A Q99250 2/20 0.37
SCN3A Q9NY46 2/20 0.37
MIF P14174 1/20 0.37

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
SCHEMBL12819487 1.00 LMNA (0.45) LMNACCR5CYP2D6TAAR1CYP1A2
SCHEMBL11992984 1.00 LMNA (0.45) LMNACCR5CYP2D6TAAR1CYP1A2
SCHEMBL813771 0.89 CYP1A2 (0.50) LMNACYP2D6TAAR1CYP1A2PKM
SCHEMBL9246055 0.84 CYP1A2 (0.42) LMNACYP2D6CYP1A2PKMSMN1; SMN2
SCHEMBL1169267 0.84 CYP1A2 (0.42) LMNACYP2D6CYP1A2PKMSMN1; SMN2
SCHEMBL5895589 0.84 LMNA (0.46) LMNACCR5CYP2D6TAAR1CYP1A2
SCHEMBL6871261 0.84 LMNA (0.46) LMNACCR5CYP2D6TAAR1CYP1A2
SCHEMBL16352603 0.83 LMNA (0.42) LMNACCR5CYP2D6TAAR1CYP1A2
SCHEMBL169508 0.81 LMNA (0.56) LMNACCR5CYP2D6TAAR1MIF
SCHEMBL7782492 0.81 HPGD (0.41) LMNACYP2D6CYP1A2PKMSMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11199890-A None JP disclosed
US-9790436-B2 Methods and systems for processing cellulosic biomass SHELL OIL COMPANY (US) 2017-10-17 US disclosed
EP-3201237-A1 METHODS AND SYSTEMS FOR PROCESSING CELLULOSIC BIOMASS Shell Internationale Research Maatschappij B.V. (NL) 2017-08-09 EP disclosed
EP-3201257-A1 METHODS AND SYSTEMS FOR PROCESSING CELLULOSIC BIOMASS Shell Internationale Research Maatschappij B.V. (NL) 2017-08-09 EP disclosed
US-20160097000-A1 METHODS AND SYSTEMS FOR PROCESSING CELLULOSIC BIOMASS SHELL OIL COMPANY 2016-04-07 US disclosed
WO-2016053948-A1 METHODS AND SYSTEMS FOR PROCESSING CELLULOSIC BIOMASS SHELL OIL COMPANY (US) 2016-04-07 WO disclosed
WO-2016053957-A1 METHODS AND SYSTEMS FOR PROCESSING CELLULOSIC BIOMASS SHELL OIL COMPANY (US) 2016-04-07 WO disclosed
WO-2016053962-A1 METHODS AND SYSTEMS FOR PROCESSING CELLULOSIC BIOMASS SHELL OIL COMPANY (US) 2016-04-07 WO disclosed
US-20120309963-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
WO-2011032277-A1 QUINAZOLINONE DERIVATIVES AS VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 WO disclosed
JP-H11199890-A USE OF 1-METHOXY-2-METHYL-3-PHENYLPROPANE, 1-(2-METHOXYPROPYL)-4-METHYLBENZENE AND 3-METHOXY-2,2,3-TRIMETHYL-1-PHENYLBUTANE IN PERFUME FIRMENICH SA 1999-07-27 JP 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-20120309963-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP4K2 LMNA 2490/4885CCR5 910/4885CYP2D6 2558/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK LMNA 2451/4885CCR5 1634/4885CYP2D6 1019/4885

“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.