SCHEMBL700514

SCHEMBL700514

CC(C)(C)C1C2CC3CC(C2)CC1(CC(=O)O)C3

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
POLB P06746 1/20 0.36
HSD11B1 P28845 7/20 0.35
HSD11B2 P80365 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL5064750 0.80 ALDH1A1 (0.36) ALDH1A1POLBHSD11B1HSD11B2SMN1; SMN2
SCHEMBL2812495 0.77 ALDH1A1 (0.39) ALDH1A1POLBHSD11B1SMN1; SMN2KDM4E
SCHEMBL3510746 0.75 ALDH1A1 (0.40) ALDH1A1POLBHSD11B1KDM4EHTT
SCHEMBL135098 0.74 LMNA (0.33) ALDH1A1HSD11B1HSD11B2LMNAHTT
SCHEMBL26217994 0.72 ALDH1A1 (0.38) ALDH1A1POLBHSD11B1SMN1; SMN2KDM4E
SCHEMBL30477996 0.72 HSD11B1 (0.46) ALDH1A1POLBHSD11B1SMN1; SMN2KDM4E
SCHEMBL6491717 0.72 ALDH1A1 (0.38) ALDH1A1POLBHSD11B1SMN1; SMN2KDM4E
SCHEMBL8097478 0.72 HSD11B1 (0.48) ALDH1A1POLBHSD11B1KDM4EHTT
SCHEMBL703301 0.72 EPHX2 (0.38) ALDH1A1POLBHSD11B1HSD11B2
SCHEMBL26881005 0.69 MEN1 (0.33) HSD11B1HSD11B2CYP2C19

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802348-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2014-08-12 US disclosed
US-8377627-B2 Compound and radiation-sensitive composition JSR CORPORATION (JP) 2013-02-19 US disclosed
EP-1961739-B1 NOVEL COMPOUND, POLYMER, AND RESIN COMPOSITION JSR CORP (JP) 2012-10-17 EP disclosed
US-8273837-B2 Compound, polymer, and resin composition JSR CORPORATION (JP) 2012-09-25 US disclosed
US-20120164586-A1 PATERN FORMING METHOD JSR CORPORATION (JP) 2012-06-28 US disclosed
US-8182977-B2 Polymer and positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2012-05-22 US disclosed
US-8173351-B2 Compound and radiation-sensitive composition JSR CORPORATION (JP) 2012-05-08 US disclosed
US-8124314-B2 Radiation-sensitive composition JSR CORPORATION (JP) 2012-02-28 US disclosed
US-8084188-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2011-12-27 US disclosed
US-20110117489-A1 COMPOUND AND RADIATION-SENSITIVE COMPOSITION JSR CORPORATION (JP) 2011-05-19 US disclosed
US-20100221664-A1 RADIATION-SENSITIVE COMPOSITION JSR CORPORATION (JP) 2010-09-02 US disclosed
US-20100203452-A1 RADIATION-SENSITIVE COMPOSITION JSR CORPORATION (JP) 2010-08-12 US disclosed
US-20100203447-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-08-12 US disclosed
US-20100068647-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-03-18 US disclosed
US-20090318652-A1 NOVEL COMPOUND, POLYMER, AND RESIN COMPOSITION JSR CORPORATION (JP) 2009-12-24 US disclosed
US-20090305161-A1 LIQUID IMMERSION LITHOGRAPHY JSR CORPORATION (JP) 2009-12-10 US disclosed
US-20090274977-A1 COMPOUND AND RADIATION-SENSITIVE COMPOSITION JSR CORPORATION (JP) 2009-11-05 US disclosed
EP-2100870-A1 COMPOUND AND RADIATION-SENSITIVE COMPOSITION JSR Corporation (JP) 2009-09-16 EP disclosed
EP-1961739-A1 NOVEL COMPOUND, POLYMER, AND RESIN COMPOSITION JSR Corporation (JP) 2008-08-27 EP disclosed
EP-1953595-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-08-06 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-20090318652-A1 NOVEL COMPOUND, POLYMER, AND RESIN COMPOSITION ERCC4, RAD51, RTF1 ALDH1A1 4177/4885POLB 436/4885HSD11B1 3942/4885
US-20110117489-A1 COMPOUND AND RADIATION-SENSITIVE COMPOSITION ERCC2, RAD51, ATM ALDH1A1 1835/4885POLB 280/4885HSD11B1 1031/4885
US-20090274977-A1 COMPOUND AND RADIATION-SENSITIVE COMPOSITION RAD51, SLC11A2, XRCC6 ALDH1A1 2392/4885POLB 723/4885HSD11B1 2514/4885

“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.