SCHEMBL26798799

SCHEMBL26798799

CNCc1ccc(-c2cc(F)cc(OC)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.46
▸ NOS1 P29475 1/20 0.46
▸ BACE1 P56817 2/20 0.44
▸ ABL1 P00519 2/20 0.42
▸ ABCB1 P08183 2/20 0.42
▸ BCR P11274 2/20 0.42
▸ RXRA P19793 2/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ PGR P06401 2/20 0.40
▸ PARP1 P09874 3/20 0.40
▸ PARP2 Q9UGN5 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ HTR7 P34969 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
SCHEMBL25365883 0.81 ABL1 (0.44) BACE1ABL1ABCB1BCRRXRA
SCHEMBL26784179 0.81 ABL1 (0.49) BACE1ABL1ABCB1BCRRXRA
SCHEMBL18588973 0.80 TSHR (0.46) NOS1HTR7
SCHEMBL254443 0.79 MAOB (0.55) MAPT
SCHEMBL21589900 0.76 ABL1 (0.50) ABL1ABCB1BCRRXRAPGR
SCHEMBL4418405 0.75 TAAR1 (0.54) NOS3NOS1PARP1PARP2MAPT
SCHEMBL24226868 0.75 CYP11B1 (0.54) NOS3NOS1BACE1
SCHEMBL21586168 0.75 ABL1 (0.48) BACE1ABL1ABCB1BCRRXRA
SCHEMBL27852526 0.75 ABL1 (0.44) ABL1ABCB1BCRRXRAPGR
SCHEMBL31207320 0.75 ACP1 (0.47) BACE1ABL1ABCB1BCRRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365582-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY ON PROSTAGLANDIN E2 RECEPTOR AND USES THEREOF KANAPH THERAPEUTICS INC. (KR) 2023-11-16 — — 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-20230365582-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY ON PROSTAGLANDIN E2 RECEPTOR AND USES THEREOF PTGER1, PTGIR, PTGDR2 NOS3 1216/4885NOS1 1185/4885BACE1 3444/4885

“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.

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