SCHEMBL17037113

SCHEMBL17037113

c1ccc(-c2ccc3c(c2)sc2c4cc5ccccc5cc4sc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 12/20 0.49
▸ PIK3CA P42336 1/20 0.42
▸ PI4KA P42356 1/20 0.42
▸ PI4KB Q9UBF8 1/20 0.42
▸ F9 P00740 2/20 0.40
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ DHFR P00374 1/20 0.36
▸ PIK3CG P48736 1/20 0.35

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
SCHEMBL16978720 0.95 LIMK1 (0.50) LIMK1PIK3CAPI4KAPI4KBF9
SCHEMBL25042487 0.90 ESR1 (0.46) LIMK1PIK3CAPI4KAPI4KBF9
SCHEMBL25040021 0.90 ESR1 (0.46) LIMK1PIK3CAPI4KAPI4KBF9
SCHEMBL25042466 0.90 ESR1 (0.46) LIMK1PIK3CAPI4KAPI4KBF9
SCHEMBL25041853 0.90 ESR1 (0.46) LIMK1PIK3CAPI4KAPI4KBF9
SCHEMBL25041970 0.90 ESR1 (0.46) LIMK1PIK3CAPI4KAPI4KBF9
SCHEMBL25041972 0.90 ESR1 (0.46) LIMK1PIK3CAPI4KAPI4KBF9
SCHEMBL25042485 0.90 ESR1 (0.46) LIMK1PIK3CAPI4KAPI4KBF9
SCHEMBL25041877 0.90 ESR1 (0.46) LIMK1PIK3CAPI4KAPI4KBF9
SCHEMBL24619537 0.89 LIMK1 (0.54) LIMK1PIK3CAPI4KAPI4KBF9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260451-B2 Method for producing aromatic compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-02-16 — — US disclosed
US-9260451-B2 Method for producing aromatic compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-02-16 — — US disclosed
US-20150239901-A1 Method For Producing Aromatic Compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-08-27 — — US disclosed
US-20150239901-A1 Method For Producing Aromatic Compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-08-27 — — 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-20150239901-A1 Method For Producing Aromatic Compound TYR, XDH, CYP1A1 LIMK1 3787/4885PIK3CA 4822/4885PI4KA 4814/4885

“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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