SCHEMBL25329490

SCHEMBL25329490

CCCCOc1cc(CC)c(O)cc1CC

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.44
LTB4R Q15722 10/20 0.43
LTB4R2 Q9NPC1 9/20 0.43
HMGCR P04035 1/20 0.42
ESR1 P03372 3/20 0.41
ESR2 Q92731 1/20 0.41
SMPD1 P17405 1/20 0.40
PGAM1 P18669 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
SCHEMBL25328725 0.91 HMGCR (0.43) NR1H4LTB4RLTB4R2HMGCR
SCHEMBL25328003 0.86 ESR1 (0.49) LTB4RLTB4R2ESR1SMPD1PGAM1
SCHEMBL25331008 0.86 ESR1 (0.49) NR1H4HMGCRESR1ESR2SMPD1
SCHEMBL25328958 0.82 ALDH1A1 (0.44) NR1H4LTB4RLTB4R2HMGCR
SCHEMBL14154474 0.79 TAAR1 (0.47) HMGCRSMPD1
SCHEMBL25330210 0.76 ALOX15 (0.43) LTB4RLTB4R2HMGCR
SCHEMBL28974846 0.76 LMNA (0.41) HMGCRESR1
SCHEMBL11024575 0.76 HMGCR (0.58) LTB4RLTB4R2HMGCRESR1SMPD1
SCHEMBL25329688 0.76 ESR1 (0.40) LTB4RESR1
SCHEMBL23070366 0.76 PSEN1 (0.46) ESR1

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-12583813-B2 Polymerization inhibitors BASF SE (DE) 2026-03-24 US disclosed
US-20230242472-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2023-08-03 US disclosed
CN-115697954-A Polymerization inhibitor 巴斯夫欧洲公司 2023-02-03 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 (2 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-20230242472-A1 POLYMERIZATION INHIBITORS RCE1, CABLES1, DPYD NR1H4 4465/4885LTB4R 2433/4885LTB4R2 2600/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 NR1H4 4243/4885LTB4R 189/4885LTB4R2 173/4885

“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.