SCHEMBL19681306

SCHEMBL19681306

Bc1cc(OC)c(B)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ CA9 Q16790 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA7 P43166 2/20 0.36
▸ CA14 Q9ULX7 2/20 0.36
▸ CA4 P22748 1/20 0.36
▸ ACHE P22303 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32

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
SCHEMBL19681303 0.85 ACHE (0.36) CYP3A4MAPTCA9CA2CA12
SCHEMBL20737136 0.83 CYP3A4 (0.41) CYP3A4MAPTCA2CA1ALDH1A1
SCHEMBL8117527 0.80 ACHE (0.59) CYP3A4MAPTCA9CA2CA12
SCHEMBL12581396 0.80 ALDH1A1 (0.53) CYP3A4MAPTCA9CA2CA12
SCHEMBL10203786 0.80 ACHE (0.59) CYP3A4MAPTCA9ACHEALDH1A1
Water SCHEMBL27661192 0.78 ACHE (0.56) CYP3A4MAPTCA9ACHEALDH1A1
SCHEMBL20736608 0.78 TUBB1 (0.35) CYP3A4MAPTCA9CA2CA12
SCHEMBL20435056 0.72 TNKS2 (0.48) CYP3A4MAPTCA9CA2CA12
SCHEMBL22291576 0.72 ERN1 (0.50) CYP3A4MAPTALDH1A1LMNAHPGD
SCHEMBL24756113 0.72 ALDH1A1 (0.57) MAPTALDH1A1NPSR1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11129781-B2 Agent for hair deforming treatment KAO CORPORATION (JP) 2021-09-28 — — US disclosed
US-11045402-B2 Hair cosmetic composition KAO CORPORATION (JP) 2021-06-29 — — US disclosed
US-10959925-B2 Hair cosmetic composition KAO CORPORATION (JP) 2021-03-30 — — US disclosed
US-20190290564-A1 HAIR COSMETIC COMPOSITION KAO CORPORATION (JP) 2019-09-26 — — US disclosed
US-20190254943-A1 HAIR COSMETIC COMPOSITION KAO CORPORATION (JP) 2019-08-22 — — US disclosed
US-20190224093-A1 HAIR COSMETIC COMPOSITION KAO CORPORATION (JP) 2019-07-25 — — US disclosed
US-20190125052-A1 METHOD FOR TREATING HAIR KAO CORPORATION (JP) 2019-05-02 — — US disclosed
WO-2017207767-A1 HAIR COSMETIC COMPOSITION KAO CORPORATION (JP) 2017-12-07 — — WO disclosed
WO-2017208463-A1 HAIR COSMETIC 花王株式会社 2017-12-07 — — WO disclosed
WO-2017207799-A1 HAIR COSMETIC COMPOSITION KAO CORPORATION (JP) 2017-12-07 — — WO disclosed
WO-2017207768-A1 METHOD FOR TREATING HAIR KAO CORPORATION (JP) 2017-12-07 — — WO disclosed
WO-2017207786-A1 HAIR COSMETIC COMPOSITION KAO CORPORATION (JP) 2017-12-07 — — 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 (7 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-11045402-B2 Hair cosmetic composition CUTA, GRHPR, POLR1C CYP3A4 1895/4885MAPT 2002/4885CA9 817/4885
US-10959925-B2 Hair cosmetic composition CUTA, POLR1C, GRHPR CYP3A4 1786/4885MAPT 2150/4885CA9 462/4885
US-20190254943-A1 HAIR COSMETIC COMPOSITION CUTA, POLR1C, GRHPR CYP3A4 1786/4885MAPT 2150/4885CA9 462/4885
US-20190125052-A1 METHOD FOR TREATING HAIR GRHPR, TYR, POLR1C CYP3A4 848/4885MAPT 2294/4885CA9 661/4885
US-20190224093-A1 HAIR COSMETIC COMPOSITION CUTA, GRHPR, POLR1C CYP3A4 1895/4885MAPT 2002/4885CA9 817/4885
US-11129781-B2 Agent for hair deforming treatment GRHPR, SLC26A4, COL1A1 CYP3A4 3291/4885MAPT 1209/4885CA9 1849/4885
US-20190290564-A1 HAIR COSMETIC COMPOSITION GRHPR, POLR1C, TYR CYP3A4 1647/4885MAPT 2362/4885CA9 647/4885

“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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