SCHEMBL445628

SCHEMBL445628

C[C@H](CCC(=O)OC1(C)CCOC(=O)C1)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.68
VDR P11473 5/20 0.68
HIF1A Q16665 3/20 0.68
CYP2C9 P11712 2/20 0.68
EPHA2 P29317 5/20 0.63
CASP7 P55210 3/20 0.63
TP53 P04637 2/20 0.63
MAPK1 P28482 2/20 0.63
HSD17B10 Q99714 2/20 0.63
BLM P54132 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
USP2 O75604 2/20 0.63
CYP3A4 P08684 2/20 0.63
MDM4 O15151 1/20 0.63
MAPT P10636 1/20 0.63
HSPD1 P10809 1/20 0.63
TSHR P16473 1/20 0.63
PTPN2 P17706 1/20 0.63
PTPN1 P18031 1/20 0.63
BRCA1 P38398 1/20 0.63

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
SCHEMBL134379 1.00 GPBAR1 (0.68) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL134380 1.00 GPBAR1 (0.68) GPBAR1VDRHIF1ACYP2C9EPHA2
SCHEMBL446309 0.91 MAPT (0.70) GPBAR1VDRHIF1ACYP2C9MAPK1
SCHEMBL136045 0.91 MAPT (0.70) GPBAR1VDRHIF1ACYP2C9MAPK1
SCHEMBL13427015 0.89 GPBAR1 (0.68) GPBAR1TDP1CYP3A4NR1H4LMNA
SCHEMBL20962050 0.89 GPBAR1 (0.68) GPBAR1TDP1CYP3A4NR1H4LMNA
SCHEMBL132512 0.89 GPBAR1 (0.68) GPBAR1TDP1CYP3A4NR1H4LMNA
SCHEMBL15436244 0.87 GPBAR1 (0.55) GPBAR1VDRHIF1ACYP2C9TDP1
Lithocholic Acid SCHEMBL5437324 0.82 GPBAR1 (0.78) GPBAR1VDRHIF1ACYP2C9EPHA2
Lithocholic Acid SCHEMBL5437327 0.82 GPBAR1 (0.78) GPBAR1VDRHIF1ACYP2C9EPHA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598520-B2 Radiation-sensitive resin composition, polymer and method for forming a resist pattern JSR CORPORATION (JP) 2017-03-21 US disclosed
EP-2503392-B1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER AND RESIST PATTERN FORMATION METHOD JSR CORP (JP) 2015-04-15 EP disclosed
US-8980529-B2 Radiation-sensitive resin composition, polymer, and resist pattern-forming method JSR CORPORATION (JP) 2015-03-17 US disclosed
US-20130244185-A9 RADIATION-SENSITIVE RESIN COMPOSITION, METHOD FOR FORMING RESIST PATTERN, ORGANIC ACID AND ACID GENERATING AGENT JSR CORPORATION (JP) 2013-09-19 US disclosed
US-8507575-B2 Radiation-sensitive resin composition, polymer, and compound JSR CORPORATION (JP) 2013-08-13 US disclosed
US-20130203000-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER, AND RESIST PATTERN-FORMING METHOD JSR CORPORATION (JP) 2013-08-08 US disclosed
US-20130065186-A1 RADIATION-SENSITIVE RESIN COMPOSITION, METHOD FOR FORMING RESIST PATTERN, ORGANIC ACID AND ACID GENERATING AGENT JSR CORPORATION (JP) 2013-03-14 US disclosed
US-20120295197-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER AND METHOD FOR FORMING A RESIST PATTERN JSR CORPORATION (JP) 2012-11-22 US disclosed
EP-2503392-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER AND RESIST PATTERN FORMATION METHOD JSR Corporation (JP) 2012-09-26 EP disclosed
US-20120065291-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER, AND COMPOUND JSR CORPORATION (JP) 2012-03-15 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 (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-20130244185-A9 RADIATION-SENSITIVE RESIN COMPOSITION, METHOD FOR FORMING RESIST PATTERN, ORGANIC ACID AND ACID GENERATING AGENT GLRA3, RER1, RXRG GPBAR1 467/4885VDR 423/4885HIF1A 896/4885
US-20130065186-A1 RADIATION-SENSITIVE RESIN COMPOSITION, METHOD FOR FORMING RESIST PATTERN, ORGANIC ACID AND ACID GENERATING AGENT GLRA3, RER1, FPR3 GPBAR1 502/4885VDR 414/4885HIF1A 890/4885
US-20120065291-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER, AND COMPOUND RAD51, RER1, XRCC5 GPBAR1 3245/4885VDR 3991/4885HIF1A 422/4885

“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.