SCHEMBL2566354

SCHEMBL2566354

O=C/C(Cl)=C\c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.56
▸ TSHR P16473 1/20 0.56
▸ FBP1 P09467 3/20 0.50
▸ CYP2A6 P11509 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ AKR1C3 P42330 1/20 0.45
▸ AKR1C1 Q04828 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ NPC1 O15118 6/20 0.42
▸ RAB9A P51151 6/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL560303 1.00 ALDH1A1 (0.56) ALDH1A1TSHRFBP1CYP2A6POLB
SCHEMBL560302 1.00 ALDH1A1 (0.56) ALDH1A1TSHRFBP1CYP2A6POLB
SCHEMBL11776320 0.88 ALDH1A1 (0.46) ALDH1A1TSHRFBP1CYP2A6POLB
SCHEMBL27892779 0.85 ALDH1A1 (0.47) ALDH1A1TSHRFBP1CYP2A6AKR1C3
SCHEMBL10587628 0.79 HSD17B10 (0.52) ALDH1A1FBP1AKR1C3AKR1C1
SCHEMBL10587631 0.79 HSD17B10 (0.52) ALDH1A1FBP1AKR1C3AKR1C1
SCHEMBL28143033 0.79 GRIK1 (0.48) ALDH1A1TSHRAKR1C3LMNANPC1
SCHEMBL28975327 0.77 LMNA (0.41) ALDH1A1TSHRFBP1CYP2A6AKR1C3
SCHEMBL11306463 0.76 ALDH1A1 (0.46) ALDH1A1TSHRFBP1POLBAKR1C3
SCHEMBL11306481 0.76 ALDH1A1 (0.46) ALDH1A1TSHRFBP1POLBAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106061976-A Polyfluoro compounds as bruton's tyrosine kinase inhibitors 浙江导明医药科技有限公司 2016-10-26 — — CN disclosed
EP-1633740-B1 5-(ACYLAMINO)INDAZOLE DERIVATIVES AS KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-11-09 — — EP disclosed
US-7560467-B2 Indazolo-tetrahydropyrimidine-carboxamide derivative kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 — — US disclosed
EP-1633740-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-11-19 — — EP disclosed
US-20070099944-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2007-05-03 — — US disclosed
EP-1633740-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2006-03-15 — — EP disclosed
WO-2004112719-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-29 — — WO 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-20070099944-A1 Chemical compounds ROCK1, ROCK2, CIT ALDH1A1 1692/4885TSHR 3918/4885FBP1 561/4885

“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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