SCHEMBL8080922

SCHEMBL8080922

CC(N)c1c2ccccc2cc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.45
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 4/20 0.41
HIF1A Q16665 1/20 0.41
CYP1B1 Q16678 1/20 0.41
CYP1A2 P05177 4/20 0.40
CYP2A6 P11509 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2C P28335 2/20 0.38
HTR2B P41595 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL24200933 1.00 HTR2A (0.45) HTR2AALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL26088728 1.00 HTR2A (0.45) HTR2AALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL1000819 0.86 UGT2B7 (0.49) HTR2AHIF1ACYP1A2SLC6A2SLC6A4
SCHEMBL12511087 0.81 HTR2A (0.48) HTR2AALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL40806 0.81 ALDH1A1 (0.44) HTR2AALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL29853842 0.79 ALDH1A1 (0.42) HTR2AALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL4642610 0.79 ALDH1A1 (0.42) HTR2AALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL240650 0.77 UGT2B7 (0.47) HTR2AALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL4642453 0.77 ALDH1A1 (0.41) HTR2AALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL13180821 0.77 HTR2A (0.45) HTR2AALDH1A1HSD17B10HIF1ACYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230126856-A1 REAGENTS FOR RAPID CHIRAL LABELING AND ANALYSIS OF AMINE CONTAINING ENANTIOMERS WATERS TECHNOLOGIES CORPORATION (US) 2023-04-27 US disclosed
EP-1040090-A1 PROCESS FOR SEPARATING LINEAR INTERNAL OLEFINS FROM BRANCHED INTERNAL OLEFINS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2000-10-04 EP disclosed
WO-1999029641-A1 PROCESS FOR SEPARATING LINEAR INTERNAL OLEFINS FROM BRANCHED INTERNAL OLEFINS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1999-06-17 WO disclosed
EP-0221781-A2 Benzylamine derivatives, process for production thereof, and use thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-05-13 EP disclosed
US-4076830-A TRANQUILIZERS, ANALGESICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-02-28 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-20230126856-A1 REAGENTS FOR RAPID CHIRAL LABELING AND ANALYSIS OF AMINE CONTAINING ENANTIOMERS AMD1, AADAT, SRM HTR2A 173/4885ALDH1A1 161/4885HSD17B10 2396/4885

“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.