SCHEMBL4173489

SCHEMBL4173489

C1=Cc2cc(OCOCc3ccccc3)ccc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.41
MAOB P27338 8/20 0.40
MAOA P21397 7/20 0.40
ALOX5 P09917 1/20 0.40
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HIF1A Q16665 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TSHR P16473 1/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
TOP1 P11387 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL15069704 0.88 ALOX5 (0.51) HRH3MAOBMAOAALOX5LMNA
SCHEMBL8751709 0.76 TSHR (0.64) MAOBMAOAALOX5LMNACYP1A2
SCHEMBL4173550 0.76 FYN (0.32)
SCHEMBL28316590 0.74 HRH3 (0.52) HRH3MAOBMAOAALOX5CA2
SCHEMBL3158759 0.73 TSHR (0.64) MAOBMAOAALOX5LMNACYP1A2
SCHEMBL21126508 0.72 GSTP1 (0.49) MAOBMAOAALOX5LMNACYP1A2
SCHEMBL14956431 0.72 TSHR (0.32) TSHR
SCHEMBL9797450 0.72 TSHR (0.52) MAOBMAOALMNACYP1A2PTGS1
SCHEMBL197717 0.71 TSHR (0.56) MAOBMAOAALOX5LMNACYP1A2
SCHEMBL9797456 0.70 LMNA (0.74) MAOBMAOALMNACYP1A2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2011781-B1 PROCESS FOR PRODUCTION OF INDENE DERIVATIVE, AND INTERMEDIATE FOR PRODUCTION OF THE DERIVATIVE MICROBIOPHARM JAPAN CO LTD (JP) 2014-03-05 EP disclosed
US-20120289723-A1 METHOD FOR PREPARING INDENE DERIVATIVES, AND INTERMEDIATES FOR PREPARATION OF DERIVATIVES MICROBIOPHARM JAPAN CO., LTD (JP) 2012-11-15 US disclosed
US-20090177002-A1 Method For Preparing Indene Derivatives, And Intermediates For Preparation Of Derivatives MICROBIOPHARM JAPAN CO., LTD. (JP) 2009-07-09 US disclosed
EP-2011781-A1 PROCESS FOR PRODUCTION OF INDENE DERIVATIVE, AND INTERMEDIATE FOR PRODUCTION OF THE DERIVATIVE MERCIAN CORPORATION (JP) 2009-01-07 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-20090177002-A1 Method For Preparing Indene Derivatives, And Intermediates For Preparation Of Derivatives CYP2R1, CYP24A1, VDR HRH3 819/4885MAOB 603/4885MAOA 1008/4885
US-20120289723-A1 METHOD FOR PREPARING INDENE DERIVATIVES, AND INTERMEDIATES FOR PREPARATION OF DERIVATIVES CYP2R1, CYP24A1, VDR HRH3 819/4885MAOB 603/4885MAOA 1008/4885

“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.