SCHEMBL25146512

SCHEMBL25146512

CC(=O)OCOC(=O)CCc1ccc(-c2ccc(CC(C)C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.44
▸ CYP4A11 Q02928 1/20 0.44
▸ PTGS2 P35354 4/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PTGS1 P23219 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ AKR1C3 P42330 2/20 0.40
▸ CXCR1 P25024 2/20 0.40
▸ CXCR2 P25025 2/20 0.40
▸ AKR1C2 P52895 2/20 0.40
▸ ALB P02768 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ RARB P10826 1/20 0.40
▸ ADRB3 P13945 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ NR1I3 Q14994 1/20 0.40

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
SCHEMBL25146565 0.85 CYP4F2 (0.62) CYP4F2CYP4A11PTGS2FFAR1TDP1
SCHEMBL25146694 0.84 CYP4F2 (0.51) CYP4F2CYP4A11FFAR1TDP1RARB
SCHEMBL23512545 0.84 CYP4F2 (0.51) CYP4F2CYP4A11FFAR1TDP1LMNA
SCHEMBL25146355 0.82 HRH3 (0.50) CYP4F2CYP4A11PTGS2FFAR1PTGS1
SCHEMBL25146548 0.81 FFAR1 (0.45) CYP4F2CYP4A11PTGS2FFAR1TDP1
SCHEMBL764926 0.80 CYP4F2 (0.68) CYP4F2CYP4A11PTGS2TDP1PTGS1
SCHEMBL25146556 0.78 FFAR1 (0.67) PTGS2FFAR1PTGS1LMNACYP2C9
Isobutylbenzene SCHEMBL8032759 0.77 ALDH1A1 (0.46) PTGS2TDP1PTGS1LMNACYP2C9
SCHEMBL7930119 0.77 ADRB2 (0.52) CYP4F2CYP4A11PTGS2PTGS1LMNA
SCHEMBL27811069 0.77 TDP1 (0.51) CYP4F2CYP4A11PTGS2TDP1PTGS1

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-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-04-20 — — 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-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF PPID, PPIF, PPIL1 CYP4F2 723/4885CYP4A11 413/4885PTGS2 1039/4885

“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.

Send feedback