SCHEMBL68894

SCHEMBL68894

Cc1cc(C)c2c(c1)OC(C)(C)CC2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
ALDH1A1 P00352 6/20 0.55
KDM4E B2RXH2 6/20 0.48
MAPT P10636 3/20 0.46
MAPK1 P28482 1/20 0.46
TP53 P04637 1/20 0.43
RAB9A P51151 4/20 0.40
GAA P10253 4/20 0.40
HPGD P15428 4/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
MAOB P27338 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CASP1 P29466 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL5189050 0.85 ALDH1A1 (0.54) TSHRALDH1A1KDM4EMAPTMAPK1
SCHEMBL3030839 0.83 ALDH1A1 (0.74) TSHRALDH1A1KDM4EMAPTMAPK1
SCHEMBL20116002 0.83 ALDH1A1 (0.74) TSHRALDH1A1KDM4EMAPTTP53
SCHEMBL10402787 0.82 KDM4E (0.54) TSHRALDH1A1KDM4EMAPTMAPK1
SCHEMBL5912567 0.76 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTMAPK1TP53
SCHEMBL3023100 0.75 MAPT (0.49) TSHRALDH1A1KDM4EMAPTMAPK1
SCHEMBL10608594 0.74 KDM4E (0.55) TSHRALDH1A1KDM4EMAPTMAPK1
SCHEMBL5717619 0.74 KDM4E (0.71) TSHRALDH1A1KDM4EMAPTMAPK1
SCHEMBL9333770 0.74 TSHR (0.36) TSHRALDH1A1KDM4EMAPTTP53
SCHEMBL5717859 0.73 KDM4E (0.66) TSHRALDH1A1KDM4EMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9211725-B2 Inkjet recording method and printed material FUJIFILM CORPORATION (JP) 2015-12-15 US disclosed
US-9211725-B2 Inkjet recording method and printed material FUJIFILM CORPORATION (JP) 2015-12-15 US disclosed
EP-2053095-B1 Ink composition and inkjet recording method using the same FUJIFILM CORP (JP) 2014-03-26 EP disclosed
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-8378002-B2 Aqueous ink composition, aqueous ink composition for inkjet recording, and inkjet recording method FUJIFILM CORPORATION (JP) 2013-02-19 US disclosed
US-8378002-B2 Aqueous ink composition, aqueous ink composition for inkjet recording, and inkjet recording method FUJIFILM CORPORATION (JP) 2013-02-19 US disclosed
US-20130029979-A1 FUSED BICYCLIC COMPOUND TAKAHASHI YOICHI (JP) 2013-01-31 US disclosed
US-8168263-B2 Photo-curable composition, ink composition, and inkjet recording method using the ink composition FUJIFILM CORPORATION (JP) 2012-05-01 US disclosed
US-8168263-B2 Photo-curable composition, ink composition, and inkjet recording method using the ink composition FUJIFILM CORPORATION (JP) 2012-05-01 US disclosed
US-8147921-B2 Ink set for inkjet recording and inkjet recording method FUJIFILM CORPORATION (JP) 2012-04-03 US disclosed
EP-2053095-A2 Ink composition and inkjet recording method using the same Fujifilm Corporation (JP) 2009-04-29 EP disclosed
US-20090087576-A1 INK COMPOSITION FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
US-20090087576-A1 INK COMPOSITION FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
US-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
US-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
US-20090081421-A1 PHOTOCURABLE COATING COMPOSITION, AND OVERPRINT AND PROCESS FOR PRODUCING SAME FUJIFILM CORPORATION (JP) 2009-03-26 US disclosed
US-20090081421-A1 PHOTOCURABLE COATING COMPOSITION, AND OVERPRINT AND PROCESS FOR PRODUCING SAME FUJIFILM CORPORATION (JP) 2009-03-26 US disclosed
US-20080239045-A1 INK SET FOR INKJET RECORDING AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed
US-20080182031-A1 Sensitizing dye, an alpha-aminoketone or acyl phosphine oxide polymerization initiator and an ethylenically unsaturated bond-containing polymerizable compound FUJIFILM CORPORATION (JP) 2008-07-31 US disclosed
US-20080182031-A1 Sensitizing dye, an alpha-aminoketone or acyl phosphine oxide polymerization initiator and an ethylenically unsaturated bond-containing polymerizable compound FUJIFILM CORPORATION (JP) 2008-07-31 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 (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-20130029979-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R TSHR 86/4885ALDH1A1 4156/4885KDM4E 1296/4885
US-20090087575-A1 INK COMPOSITION AND INKJET RECORDING METHOD USING THE SAME RB1, IK, NOX1 TSHR 4507/4885ALDH1A1 440/4885KDM4E 679/4885

“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.