SCHEMBL23909130

SCHEMBL23909130

O=C1OC([PH](c2ccccc2)(c2ccccc2)c2ccccc2)c2c(Br)cccc21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C1R P00736 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.32
ELANE P08246 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL87116 0.81 ALDH1A1 (0.35) C1RKMT2AALDH1A1ELANESMN1; SMN2
SCHEMBL87177 0.78 C1R (0.38) C1RKMT2AALDH1A1SMN1; SMN2SIRT1
SCHEMBL2309241 0.75 ALDH1A1 (0.50) KMT2AALDH1A1SMN1; SMN2
Bromide SCHEMBL29136390 0.73 ALDH1A1 (0.49) KMT2AALDH1A1SMN1; SMN2
SCHEMBL86913 0.71 PTPRC (0.38) KMT2AALDH1A1MAPK1
SCHEMBL23914619 0.71 CA1 (0.39) C1RKMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL14727439 0.70 SIRT1 (0.32) KMT2AALDH1A1SIRT1
SCHEMBL14911427 0.69 CA1 (0.38) KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL27435341 0.69 CA1 (0.38) KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL2731181 0.69 AKT1 (0.43) KMT2AALDH1A1

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 3 patents. 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
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
CN-110869359-A Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis 加拉帕戈斯股份有限公司 2020-03-06 CN 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 C1R 22/4885KMT2A 2974/4885ALDH1A1 944/4885

“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.