SCHEMBL13601651

SCHEMBL13601651

Cc1cc(C(=O)O)ccc1-c1cc(Cl)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.50
SRD5A1 P18405 1/20 0.50
TSHR P16473 3/20 0.44
ALOX15 P16050 2/20 0.44
MRGPRX4 Q96LA9 2/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
ADH5 P11766 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER2 P43116 1/20 0.41
RARB P10826 1/20 0.41
ADRB1 P08588 1/20 0.41

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
SCHEMBL12388131 0.86 CA12 (0.47) SRD5A2TSHRALOX15MRGPRX4KDM4E
SCHEMBL12193907 0.86 MAPK14 (0.51) TSHRALOX15MRGPRX4KDM4EALDH1A1
SCHEMBL68014 0.81 ALDH1A1 (0.57) TSHRALOX15KDM4EALDH1A1GAA
SCHEMBL12388484 0.81 TTR (0.50) SRD5A2SRD5A1ALOX15KDM4EALDH1A1
SCHEMBL13601652 0.81 PTGER1 (0.45) SRD5A2
SCHEMBL4343449 0.79 CA1 (0.51) SRD5A2SRD5A1TSHRALOX15MRGPRX4
Hydrochloric Acid SCHEMBL4352471 0.79 ALDH1A1 (0.56) TSHRALOX15KDM4EALDH1A1GAA
SCHEMBL1132321 0.79 SRD5A2 (0.48) SRD5A2SRD5A1TSHRALOX15MRGPRX4
SCHEMBL13601663 0.79 EIF4E (0.45) SRD5A2SRD5A1TSHRALOX15MRGPRX4
SCHEMBL1131951 0.79 RARB (0.57) SRD5A2SRD5A1TSHRALOX15KDM4E

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-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 US disclosed
US-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 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-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 SRD5A2 2239/4885SRD5A1 1383/4885TSHR 957/4885

“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.