SCHEMBL25328003

SCHEMBL25328003

CCCCOc1cc(C)c(O)cc1CC

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.49
ELANE P08246 1/20 0.40
LTB4R Q15722 5/20 0.39
LTB4R2 Q9NPC1 4/20 0.39
RARB P10826 1/20 0.39
SMPD1 P17405 1/20 0.38
PGAM1 P18669 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
SCHEMBL25329688 0.91 ESR1 (0.40) ESR1ELANELTB4R
SCHEMBL25329490 0.86 NR1H4 (0.44) ESR1LTB4RLTB4R2SMPD1PGAM1
SCHEMBL25329214 0.84 ESR1 (0.44) ESR1ELANELTB4RLTB4R2
SCHEMBL9704734 0.84 ESR1 (0.56) ESR1RARB
SCHEMBL25331008 0.79 ESR1 (0.49) ESR1RARBSMPD1PGAM1
SCHEMBL30356491 0.78 TAAR1 (0.48) ELANE
SCHEMBL25329513 0.78 ALOX15 (0.41) ESR1ELANELTB4R
SCHEMBL14015793 0.77 ESR1 (0.58) ESR1SMPD1
SCHEMBL25328725 0.77 HMGCR (0.43) LTB4RLTB4R2
SCHEMBL12434156 0.75 ESR1 (0.49) ESR1RARB

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-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

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 ESR1 3959/4885ELANE 1165/4885LTB4R 2433/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 ESR1 2282/4885ELANE 1423/4885LTB4R 189/4885

“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.