SCHEMBL23909065

SCHEMBL23909065

O=Cc1ccc(OCC(F)F)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
TTR P02766 1/20 0.43
MAPT P10636 3/20 0.43
CYP1A2 P05177 2/20 0.43
HPGD P15428 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
FDPS P14324 1/20 0.41
LMNA P02545 2/20 0.41
TACR2 P21452 1/20 0.40
TSHR P16473 1/20 0.40
ACACB O00763 1/20 0.39
ALDH1A3 P47895 2/20 0.39
ALDH3A1 P30838 1/20 0.39
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 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
SCHEMBL3725582 0.84 ALDH1A1 (0.47) ALDH1A1TTRMAPTCYP1A2HPGD
SCHEMBL5703181 0.81 ALDH1A1 (0.44) ALDH1A1TTRMAPTCYP1A2HPGD
SCHEMBL16164230 0.80 ALDH1A1 (0.43) ALDH1A1TTRMAPTCYP1A2HPGD
SCHEMBL15477906 0.80 S1PR1 (0.44) ALDH1A1TTRMAPTCYP1A2HPGD
SCHEMBL944634 0.80 S1PR1 (0.44) ALDH1A1TTRMAPTCYP1A2HPGD
SCHEMBL4542662 0.80 ALDH1A1 (0.53) ALDH1A1TTRMAPTLMNATSHR
SCHEMBL2264908 0.79 ALDH1A1 (0.64) ALDH1A1TTRMAPTHPGDFDPS
SCHEMBL30902399 0.78 ALDH1A1 (0.60) ALDH1A1TTRMAPTCYP1A2HPGD
SCHEMBL22322112 0.78 ALDH1A1 (0.52) ALDH1A1TTRMAPTCYP1A2HPGD
SCHEMBL566725 0.78 ALDH1A1 (0.60) ALDH1A1TTRMAPTCYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
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 ALDH1A1 944/4885TTR 2381/4885MAPT 4876/4885

“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.