SCHEMBL20535946

SCHEMBL20535946

CCCCNCc1ccccc1O

nearest known ligand 0.87

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.79
CA2 P00918 5/20 0.79
CA9 Q16790 4/20 0.79
TSHR P16473 2/20 0.79
KDM4E B2RXH2 1/20 0.79
HSD17B10 Q99714 1/20 0.79
MPO P05164 11/20 0.71
SLC6A4 P31645 2/20 0.71
CYP2D6 P10635 1/20 0.64
HIF1A Q16665 1/20 0.64
PKM P14618 1/20 0.53

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
SCHEMBL11604740 0.95 CA12 (0.82) CA12CA2CA9TSHRKDM4E
SCHEMBL11118835 0.93 CA12 (0.83) CA12CA2CA9TSHRKDM4E
SCHEMBL5935029 0.93 CA12 (0.83) CA12CA2CA9TSHRKDM4E
SCHEMBL1189851 0.93 CA12 (0.83) CA12CA2CA9TSHRKDM4E
SCHEMBL11118157 0.93 CA12 (0.83) CA12CA2CA9TSHRKDM4E
SCHEMBL3857624 0.93 CA12 (0.83) CA12CA2CA9TSHRKDM4E
SCHEMBL11119051 0.93 CA12 (0.83) CA12CA2CA9TSHRKDM4E
SCHEMBL11122843 0.93 CA12 (0.83) CA12CA2CA9TSHRKDM4E
SCHEMBL8017532 0.93 CA12 (0.83) CA12CA2CA9TSHRKDM4E
SCHEMBL29604122 0.93 CA12 (0.83) CA12CA2CA9TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114437252-B Method for removing residual nickel in styrene-conjugated diene copolymer catalytic hydrogenation glue solution 中国石油化工股份有限公司 2024-07-05 CN disclosed
US-20230304445-A1 CHEMISTRIES, APPLICATION, AND DELIVERY METHODS FOR COKE INHIBITION IN FUEL AND OIL SYSTEMS GENERAL ELECTRIC COMPANY 2023-09-28 US disclosed
CN-114437252-A Method for removing residual nickel in styrene-conjugated diene copolymer catalytic hydrogenation glue solution 中国石油化工股份有限公司 2022-05-06 CN disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 US disclosed
WO-2018191642-A1 NOVEL AMODIAQUINE ANALOGS AND METHODS OF USES THEREOF TEXAS BIOMEDICAL RESEARCH INSTITUTE (US) 2018-10-18 WO disclosed
CN-104955802-A Novel catalyst compositions and methods of making and using the same CHEVRON PHILLIPS CHEMICAL CO 2015-09-30 CN 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-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 CA12 4719/4885CA2 3458/4885CA9 4422/4885

“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.