SCHEMBL3144872

SCHEMBL3144872

O=Cc1ccccc1Oc1ccc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.65
GAA P10253 3/20 0.65
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 2/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
NPSR1 Q6W5P4 1/20 0.60
RCE1 Q9Y256 1/20 0.56
HTT P42858 3/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PTGER3 P43115 1/20 0.46
MAPT P10636 2/20 0.45
SRC P12931 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CYP2A6 P11509 1/20 0.42
ERN1 O75460 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL31241185 1.00 LMNA (0.65) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL31599176 0.85 LMNA (0.88) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL7337144 0.83 LMNA (0.53) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL20346747 0.82 ALDH1A1 (0.63) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL20346745 0.82 LMNA (0.58) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL7538902 0.81 GAA (0.47) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL20346749 0.80 CYP1A2 (0.51) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL31241187 0.79 LMNA (0.92) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL7921286 0.79 LMNA (0.61) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL5321373 0.79 LMNA (0.61) LMNAGAAKMT2AALDH1A1CYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180185325-A1 12H-BENZO[b]XANTHEN-12-ONES, COMPOSITIONS CONTAINING, AND USES OF, SAME THESAN PHARMACEUTICALS, INC. (US) 2018-07-05 US disclosed
US-20180179174-A1 12H-BENZO[b]XANTHEN-12-ONES, COMPOSITIONS CONTAINING, AND USES OF, SAME THESAN PHARMACEUTICALS, INC. (US) 2018-06-28 US disclosed
EP-2154123-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2013-10-23 EP disclosed
US-7851659-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-14 US disclosed
US-20100234645-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 US disclosed
EP-2154123-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-17 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 (3 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-20180185325-A1 12H-BENZO[b]XANTHEN-12-ONES, COMPOSITIONS CONTAINING, AND USES OF, SAME AHR, NR1H2, NR1H3 LMNA 1139/4885GAA 837/4885KMT2A 1775/4885
US-20180179174-A1 12H-BENZO[b]XANTHEN-12-ONES, COMPOSITIONS CONTAINING, AND USES OF, SAME AHR, NR1H2, NR1H3 LMNA 1139/4885GAA 837/4885KMT2A 1775/4885
US-20100234645-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, NQO2, NDUFC2 LMNA 2113/4885GAA 1982/4885KMT2A 548/4885

“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.