SCHEMBL24425871

SCHEMBL24425871

COC(=O)/C=C/CCOc1ccc(OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.51
▸ MTNR1B P49286 1/20 0.51
▸ MAPT P10636 3/20 0.49
▸ KMT2A Q03164 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ GSK3B P49841 1/20 0.46
▸ HDAC8 Q9BY41 3/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL13971097 0.81 GPR52 (0.61) KMT2ASMN1; SMN2CNR1CNR2ALDH1A1
SCHEMBL6176091 0.77 ALDH1A1 (0.50) SMN1; SMN2GSK3BHDAC8TP53ALDH1A1
SCHEMBL6176085 0.77 ALDH1A1 (0.50) SMN1; SMN2GSK3BHDAC8TP53ALDH1A1
SCHEMBL14282678 0.76 CYP1A2 (0.48) SMN1; SMN2TP53CYP1A2CYP2D6CYP2C9
SCHEMBL14282679 0.75 RAB9A (0.46) MTNR1AMTNR1BMAPTSMN1; SMN2HDAC8
SCHEMBL8062980 0.73 MAPT (0.50) MTNR1AMTNR1BMAPTSMN1; SMN2NPC1
SCHEMBL7928344 0.73 MAPT (0.50) MTNR1AMTNR1BMAPTSMN1; SMN2NPC1
SCHEMBL18119903 0.73 HCAR2 (0.52) MAPTCNR1ALDH1A1RAB9A
SCHEMBL16540496 0.72 CA1 (0.54) MAPTKMT2ASMN1; SMN2GSK3BNPC1
SCHEMBL11307873 0.72 MAPT (0.59) MAPTSMN1; SMN2NPC1LMNAALDH1A1

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-20220219155-A1 Compositions And Methods For Visible-Light-Controlled Ruthenium-Catalyzed Olefin Metathesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2022-07-14 — — US disclosed
US-11331656-B2 Compositions and methods for visible-light-controlled ruthenium-catalyzed olefin metathesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-05-17 — — 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-11331656-B2 Compositions and methods for visible-light-controlled ruthenium-catalyzed olefin metathesis PPOX, CYBA, CYBB MTNR1A 2804/4885MTNR1B 2884/4885MAPT 1538/4885
US-20220219155-A1 Compositions And Methods For Visible-Light-Controlled Ruthenium-Catalyzed Olefin Metathesis PPOX, CYBA, CYBB MTNR1A 2804/4885MTNR1B 2884/4885MAPT 1538/4885

“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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