SCHEMBL24512652

SCHEMBL24512652

O=Cc1cccc(Oc2ccc(C(F)(F)F)cc2C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 3/20 0.46
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ATM Q13315 1/20 0.42
TTR P02766 1/20 0.40
ESRRA P11474 1/20 0.40
SRC P12931 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39

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
SCHEMBL31556439 1.00 ALDH1A1 (0.49) ALDH1A1L3MBTL1POLBMAPTLMNA
SCHEMBL875548 0.89 L3MBTL1 (0.59) ALDH1A1L3MBTL1POLBMAPTLMNA
SCHEMBL8547502 0.85 TTR (0.48) ALDH1A1L3MBTL1POLBMAPTLMNA
SCHEMBL10688501 0.85 FFAR1 (0.48) ALDH1A1L3MBTL1POLBMAPTLMNA
SCHEMBL6499812 0.84 KMT2A (0.46) ALDH1A1L3MBTL1POLBMAPTLMNA
SCHEMBL24181290 0.84 L3MBTL1 (0.46) ALDH1A1L3MBTL1POLBMAPTLMNA
SCHEMBL417140 0.82 ALDH1A1 (0.63) ALDH1A1L3MBTL1POLBMAPTLMNA
SCHEMBL924185 0.81 ADAMTS5 (0.55) ALDH1A1L3MBTL1POLBMAPTLMNA
SCHEMBL3903338 0.80 TTR (0.59) ALDH1A1L3MBTL1POLBMAPTLMNA
SCHEMBL9889485 0.80 AR (0.47) ALDH1A1L3MBTL1POLBMAPTLMNA

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-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-06-16 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-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE PTDSS1, PTDSS2, SMPD1 ALDH1A1 2761/4885L3MBTL1 3807/4885POLB 3262/4885

“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.