SCHEMBL3428851

SCHEMBL3428851

c1ccc2c(c1)cc[nH]ccc1ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
HSD17B10 Q99714 4/20 0.61
CYP2A6 P11509 3/20 0.61
TSHR P16473 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
HPRT1 P00492 3/20 0.55
PARP1 P09874 1/20 0.52
HIF1A Q16665 1/20 0.50
CYP1B1 Q16678 1/20 0.50
PAX8 Q06710 1/20 0.44
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 1/20 0.42
KEAP1 Q14145 1/20 0.42
TRPA1 O75762 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 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
Hydrochloric Acid SCHEMBL11164151 0.97 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL28440108 0.86 HSD17B10 (0.67) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL18979413 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL11693494 0.79 CYP2A6 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL29358486 0.77 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL29477074 0.77 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL7643 0.77 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL30932938 0.77 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL4377802 0.77 ALDH1A1 (0.85) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Phenanthrene SCHEMBL27458043 0.77 CYP2A6 (1.00) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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
EP-0035360-B1 5,6,8,9-TETRAHYDRO-7H-DIBENZ(D,F)AZONINE DERIVATIVES, THE PRODUCTION THEREOF AND COMPOSITIONS CONTAINING THEM GÖDECKE AKTIENGESELLSCHAFT (DE) 1983-09-21 EP claimed
WO-2016149821-A1 METHODS OF MAKING MORPHINAN ALKALOIDS AND ENZYMES THEREFORE Valorbec Société en Commandite (CA) 2016-09-29 WO disclosed
US-7767428-B2 Salutaridinol 7-O-acetyltransferase and derivatives thereof DONALD DANFORTH PLANT SCIENCE CENTER (US) 2010-08-03 US disclosed
US-20090053764-A1 Salutaridinol 7-0-Acetyltransferase and Derivatives Thereof DONALD DANFORTH PLANT SCIENCE CENTER (US) 2009-02-26 US disclosed
US-7390642-B2 Salutaridinol 7-O-acetyltransferase and derivatives thereof DONALD DANFORTH PLANT SCIENCE CENTER (US) 2008-06-24 US disclosed
US-20030226161-A1 Salutaridinol 7-O-acetyltransferase and derivatives thereof DONALD DANFORTH PLANT SCIENCE CENTER 2003-12-04 US disclosed
EP-1270727-A1 Salutaridinol 7-O-acetyltransferase and derivatives thereof Institut für Pflanzenbiochemie (DE) 2003-01-02 EP disclosed
EP-0035360-B1 5,6,8,9-TETRAHYDRO-7H-DIBENZ(D,F)AZONINE DERIVATIVES, THE PRODUCTION THEREOF AND COMPOSITIONS CONTAINING THEM GÖDECKE AKTIENGESELLSCHAFT (DE) 1983-09-21 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-20090053764-A1 Salutaridinol 7-0-Acetyltransferase and Derivatives Thereof NAT10, RNGTT, RNMT ALDH1A1 1203/4885HSD17B10 899/4885CYP2A6 2473/4885
US-20030226161-A1 Salutaridinol 7-O-acetyltransferase and derivatives thereof NAT10, RNGTT, METTL16 ALDH1A1 1143/4885HSD17B10 596/4885CYP2A6 2176/4885

“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.