SCHEMBL23915341

SCHEMBL23915341

O=C1OC([PH](c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(F)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.40
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
CYP19A1 P11511 1/20 0.34
TNKS O95271 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33

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
SCHEMBL86913 0.82 PTPRC (0.38) ALDH1A1GAAKMT2AKDM4EMEN1
SCHEMBL2309241 0.80 ALDH1A1 (0.50) ALDH1A1KMT2APOLBMAPTHTT
Bromide SCHEMBL29136390 0.79 ALDH1A1 (0.49) ALDH1A1KMT2APOLBMAPTHTT
SCHEMBL14727439 0.75 SIRT1 (0.32) MAOBALDH1A1GAAKMT2APOLB
SCHEMBL6200500 0.74 KDM4E (0.46) ALDH1A1KDM4E
SCHEMBL20354665 0.70 MAOB (0.40) MAOB
SCHEMBL19333344 0.70 MAOB (0.40) MAOB
SCHEMBL23909108 0.70 MAOB (0.40) MAOBALDH1A1GAAKMT2APOLB
SCHEMBL24223347 0.70 MAOB (0.40) MAOB
SCHEMBL3762755 0.70 MAOB (0.40) MAOBALDH1A1GAAKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 MAOB 1746/4885ALDH1A1 944/4885GAA 3652/4885

“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.