SCHEMBL19969873

SCHEMBL19969873

C=C/C(=C\C=C/C)COc1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MMP2 P08253 6/20 0.38
▸ MMP3 P08254 2/20 0.38
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAOB P27338 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PARP15 Q460N3 1/20 0.35
▸ PARP10 Q53GL7 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
SCHEMBL20053879 0.81 ALDH1A1 (0.45) ALDH1A1MAPTMMP2MMP3GAA
SCHEMBL20053889 0.72 ALDH1A1 (0.43) ALDH1A1MAPTMMP2MMP3GAA
SCHEMBL19455159 0.72 — —
SCHEMBL763636 0.71 CA2 (0.38) ALDH1A1MAPTMMP3PARP15PARP10
SCHEMBL21654240 0.71 MAPK1 (0.61) ALDH1A1MAPTGAAKMT2AKDM4E
SCHEMBL4770909 0.70 ALDH1A1 (0.53) ALDH1A1MAPTMMP2MMP3GAA
SCHEMBL13703980 0.69 SMN1; SMN2 (0.36) ALDH1A1MAPTKMT2AMAOBCYP1A2
SCHEMBL2607375 0.69 MMP2 (0.55) ALDH1A1MAPTMMP2MMP3GAA
SCHEMBL14548246 0.68 MMP2 (0.51) ALDH1A1MAPTMMP2MMP3KDM4E
SCHEMBL17615977 0.68 MMP2 (0.51) ALDH1A1MAPTMMP2MMP3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190161439-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION BASSERU CHEMICAL CO., LTD. (JP) 2019-05-30 — — US disclosed
US-20180072657-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION BASSERU CHEMICAL CO., LTD. (JP) 2018-03-15 — — 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-20180072657-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION CCL11, SPTLC3, C3AR1 ALDH1A1 2220/4885MAPT 3045/4885MMP2 3040/4885
US-20190161439-A1 MARINE SESSILE ORGANISM-REPELLING COMPOSITION CCL11, SPTLC3, C3AR1 ALDH1A1 2220/4885MAPT 3045/4885MMP2 3040/4885

“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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