SCHEMBL9893546

SCHEMBL9893546

CCc1c(C)c(C)c2ccc3ccccc3c2c1CC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ CASP1 P29466 1/20 0.56
▸ CASP7 P55210 1/20 0.56
▸ ATM Q13315 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ CYP1A2 P05177 4/20 0.42
▸ CYP2A6 P11509 3/20 0.42
▸ HPRT1 P00492 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ NCEH1 Q6PIU2 1/20 0.38
▸ HNF4A P41235 1/20 0.36
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35

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
SCHEMBL9893591 0.83 HSD17B10 (0.47) TSHRHSD17B10L3MBTL1CYP3A4HPGD
SCHEMBL7629059 0.79 HSD17B10 (0.47) TSHRHSD17B10L3MBTL1CYP3A4HPGD
SCHEMBL15412953 0.77 HSD17B10 (0.76) TSHRHSD17B10L3MBTL1CYP3A4HPGD
SCHEMBL28537289 0.75 HSD17B10 (0.73) TSHRHSD17B10L3MBTL1CYP3A4HPGD
SCHEMBL8613100 0.74 TP53 (0.40) TSHRHSD17B10L3MBTL1CYP3A4HPGD
SCHEMBL9576864 0.74 GABRA1 (0.39) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL29382459 0.72 HSD17B10 (1.00) TSHRHSD17B10L3MBTL1CYP3A4HPGD
SCHEMBL29403351 0.72 HSD17B10 (1.00) TSHRHSD17B10L3MBTL1CYP3A4HPGD
SCHEMBL29531544 0.72 HSD17B10 (1.00) TSHRHSD17B10L3MBTL1CYP3A4HPGD
SCHEMBL99213 0.72 HSD17B10 (1.00) TSHRHSD17B10L3MBTL1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718258-B1 BISPHENOL COMPOUNDS AND METHODS OF MAKING SABIC GLOBAL TECHNOLOGIES BV (NL) 2017-02-01 — — EP disclosed
EP-2665775-B1 UV STABILIZATION OF ISOSORBIDE POLYCARBONATES SABIC GLOBAL TECHNOLOGIES BV (NL) 2016-11-16 — — EP disclosed
EP-2718258-A1 BISPHENOL COMPOUNDS AND METHODS OF MAKING SABIC Innovative Plastics IP B.V. (NL) 2014-04-16 — — EP disclosed
CN-103582625-A Bisphenol compounds and methods of making SABIC INNOVATIVE PLASTICS IP 2014-02-12 — — CN disclosed
US-8633265-B2 UV stabilization of isosorbide polycarbonates SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2014-01-21 — — US disclosed
EP-2665775-A1 UV STABILIZATION OF ISOSORBIDE POLYCARBONATES SABIC Innovative Plastics IP B.V. (NL) 2013-11-27 — — EP disclosed
EP-2649079-A1 BISPHENOL POLYMER STRUCTURAL UNITS AND METHOD OF MAKING THE SAME SABIC Innovative Plastics IP B.V. (NL) 2013-10-16 — — EP disclosed
CN-103328570-A UV stabilization of isosorbide polycarbonates SABIC INNOVATIVE PLASTICS IP 2013-09-25 — — CN disclosed
CN-103249736-A Bisphenol polymer structural units and method of making the same SABIC INNOVATIVE PLASTICS IP 2013-08-14 — — CN disclosed
US-8507699-B2 Bisphenol polymer structural units and method of making the same SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2013-08-13 — — US disclosed
WO-2012170264-A1 BISPHENOL COMPOUNDS AND METHODS OF MAKING SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2012-12-13 — — WO disclosed
WO-2012098513-A1 UV STABILIZATION OF ISOSORBIDE POLYCARBONATES SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2012-07-26 — — WO disclosed
US-20120184651-A1 UV Stabilization of Isosorbide Polycarbonates SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2012-07-19 — — US disclosed
US-8202960-B1 Bisphenol compounds and methods of making SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2012-06-19 — — US disclosed
US-20120149923-A1 BISPHENOL POLYMER STRUCTURAL UNITS AND METHOD OF MAKING THE SAME SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2012-06-14 — — US disclosed
WO-2012079005-A1 BISPHENOL POLYMER STRUCTURAL UNITS AND METHOD OF MAKING THE SAME SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2012-06-14 — — WO 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 (1 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-20120149923-A1 BISPHENOL POLYMER STRUCTURAL UNITS AND METHOD OF MAKING THE SAME PCBP1, PUF60, FHIT TSHR 3192/4885HSD17B10 458/4885L3MBTL1 3164/4885

“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.

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