SCHEMBL9704734

SCHEMBL9704734

CCCCOc1cc(C)c(O)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.56
RARB P10826 1/20 0.45
ESR2 Q92731 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
G6PD P11413 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
CCR6 P51684 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL14015793 0.93 ESR1 (0.58) ESR1ALDH1A1HPGDNR5A1
SCHEMBL25329065 0.90 ESR1 (0.46) ESR1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL12434156 0.88 ESR1 (0.49) ESR1RARBCYP1A2CYP2C9CYP2C19
SCHEMBL25331008 0.84 ESR1 (0.49) ESR1RARBESR2
SCHEMBL25328003 0.84 ESR1 (0.49) ESR1RARB
SCHEMBL17264198 0.84 ESR1 (0.46) ESR1RARBCYP1A2CYP2C9CYP2C19
SCHEMBL9704738 0.82 ESR1 (0.51) ESR1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL29582108 0.81 ESR1 (0.47) ESR1RARBCYP1A2CYP2C9CYP2C19
SCHEMBL13475559 0.81 ESR1 (0.49) ESR1RARBCYP1A2CYP2C9CYP2C19
SCHEMBL12374339 0.80 PDE3B (0.45) ESR1RARBCYP1A2CYP2C9CYP2C19

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 5 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
EP-1985613-B1 Organic compound, anthracene derivative, and light-emitting element, light-emitting device, and electronic device in which the anthracene derivative is used SEMICONDUCTOR ENERGY LAB (JP) 2013-05-15 EP disclosed
US-5166398-A Anticholesterol agents or atherosclerosis WARNER-LAMBERT CO. (US) 1992-11-24 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 3959/4885RARB 3931/4885ESR2 4020/4885
US-12583813-B2 Polymerization inhibitors PTGS1, PTGER1, POT1 ESR1 2282/4885RARB 3240/4885ESR2 1987/4885

“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.