SCHEMBL19038910

SCHEMBL19038910

C#CCOc1cc(OCC#C)c2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 13/20 0.44
▸ MAOA P21397 8/20 0.43
▸ CYP1A1 P04798 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CA12 O43570 3/20 0.40
▸ CA4 P22748 3/20 0.40
▸ CA9 Q16790 3/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ GSTP1 P09211 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CA1 P00915 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
SCHEMBL13301435 0.83 MAOB (0.46) MAOBMAOACYP1A1CYP1A2CA12
SCHEMBL20530588 0.82 MAOB (0.46) MAOBMAOACYP1A1CYP1A2CA12
SCHEMBL20530579 0.82 NQO2 (0.50) MAOBMAOACYP1A1CYP1A2CA12
SCHEMBL19038911 0.82 CYP3A4 (0.49) MAOBMAOACA12CA4CA9
SCHEMBL19038939 0.80 MAOB (0.53) MAOBMAOAACHEGSTP1MAPT
SCHEMBL2204213 0.79 HTR1B (0.55) MAOBCYP1A2
SCHEMBL30000708 0.79 HTR1B (0.55) MAOBCYP1A2
SCHEMBL10518935 0.78 MAOB (0.49) MAOBMAOACYP1A1CYP1A2MAPT
Ammonia Solution, Strong SCHEMBL27736316 0.77 HTR1B (0.53) MAOBCYP1A2
SCHEMBL9043883 0.77 CA12 (0.57) MAOBMAOACA12CA4CA9

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-10444628-B2 Compound for forming organic film, composition for forming organic film, method for forming organic film, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-10-15 — — US disclosed
US-20170184968-A1 COMPOUND FOR FORMING ORGANIC FILM, COMPOSITION FOR FORMING ORGANIC FILM, METHOD FOR FORMING ORGANIC FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-06-29 — — US disclosed
US-20170184968-A1 COMPOUND FOR FORMING ORGANIC FILM, COMPOSITION FOR FORMING ORGANIC FILM, METHOD FOR FORMING ORGANIC FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-06-29 — — US disclosed
US-20170183531-A1 COMPOUND FOR FORMING ORGANIC FILM, COMPOSITION FOR FORMING ORGANIC FILM, METHOD FOR FORMING ORGANIC FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-06-29 — — 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 (2 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-10444628-B2 Compound for forming organic film, composition for forming organic film, method for forming organic film, and patterning process CHRM1, OR10J3, MYB MAOB 383/4885MAOA 317/4885CYP1A1 56/4885
US-20170184968-A1 COMPOUND FOR FORMING ORGANIC FILM, COMPOSITION FOR FORMING ORGANIC FILM, METHOD FOR FORMING ORGANIC FILM, AND PATTERNING PROCESS CHRM1, MLX, OR10J3 MAOB 577/4885MAOA 409/4885CYP1A1 74/4885

“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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