SCHEMBL25329065

SCHEMBL25329065

CCCOc1cc(C)c(O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.46
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 2/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
G6PD P11413 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 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
SCHEMBL9704734 0.90 ESR1 (0.56) ESR1MAPK1MAPTNPSR1KDM4E
SCHEMBL13475555 0.87 HTT (0.51) ESR1LMNAHTTSMN1; SMN2MAPK1
SCHEMBL14015793 0.87 ESR1 (0.58) ESR1ALDH1A1HPGD
SCHEMBL9704738 0.83 ESR1 (0.51) ESR1LMNAHTTMAPK1TSHR
SCHEMBL28974846 0.83 LMNA (0.41) ESR1LMNAHTTSMN1; SMN2MAPK1
SCHEMBL25329688 0.83 ESR1 (0.40) ESR1LMNAHTTSMN1; SMN2MAPK1
SCHEMBL19122394 0.83 HTT (0.49) ESR1LMNAHTTSMN1; SMN2MAPK1
SCHEMBL29712144 0.81 HTT (0.46) ESR1LMNAHTTSMN1; SMN2MAPK1
SCHEMBL18272003 0.80 ADRA1D (0.50) ESR1LMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL23906772 0.77 ESR1 (0.40) ESR1SMN1; SMN2MAPK1MAPTNPSR1

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
EP-4161892-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2023-04-12 EP 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 3959/4885LMNA 3467/4885HTT 1674/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 ESR1 2282/4885LMNA 2036/4885HTT 1310/4885

“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.