SCHEMBL12094232

SCHEMBL12094232

CC[C@H](C)COc1cccc([C@@H](C)N)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.48
FFAR1 O14842 1/20 0.47
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
SCN4A P35499 2/20 0.42
GPR88 Q9GZN0 6/20 0.41
DUT P33316 1/20 0.41
TLR8 Q9NR97 1/20 0.40
MCHR1 Q99705 1/20 0.40

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
SCHEMBL19122314 0.87 KDM4E (0.56) GPBAR1FFAR1KDM4ETSHRGPR88
SCHEMBL12696830 0.86 FFAR1 (0.50) GPBAR1FFAR1KDM4ETSHRSCN4A
SCHEMBL14846857 0.85 SCN4A (0.46) KDM4ETSHRSCN4A
SCHEMBL12094272 0.85 SCN4A (0.46) KDM4ETSHRSCN4A
SCHEMBL19191664 0.85 SCN4A (0.46) KDM4ETSHRSCN4A
SCHEMBL17138170 0.84 GPBAR1 (0.60) GPBAR1FFAR1KDM4ETSHRTLR8
SCHEMBL4280414 0.83 TP53 (0.56) KDM4ETSHR
SCHEMBL146850 0.83 TP53 (0.56) KDM4ETSHR
SCHEMBL7640732 0.83 TP53 (0.56) KDM4ETSHR
SCHEMBL12094233 0.82 SCN4A (0.43) KDM4ETSHRSCN4ADUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3673908-B1 ANTI-TUMOR EFFECT POTENTIATOR TAIHO PHARMACEUTICAL CO LTD (JP) 2022-01-12 EP disclosed
EP-2508185-A1 ANTI-TUMOR EFFECT POTENTIATOR Taiho Pharmaceutical Co., Ltd. (JP) 2012-10-10 EP disclosed
EP-2295414-B1 URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2012-09-26 EP disclosed
US-20120225838-A1 ANTI-TUMOR EFFECT POTENTIATOR TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
WO-2011065541-A1 ANTI-TUMOR EFFECT POTENTIATOR 大鵬薬品工業株式会社 (JP) 2011-06-03 WO disclosed
WO-2011065545-A1 5-FLUOROURACIL COMPOUND HAVING dUTPase-INHIBITING ACTIVITY OR SALT THEREOF 大鵬薬品工業株式会社 (JP) 2011-06-03 WO disclosed
EP-2295414-A1 NOVEL URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2011-03-16 EP disclosed
WO-2009147843-A1 NOVEL URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF 大鵬薬品工業株式会社 (JP) 2009-12-10 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-20120225838-A1 ANTI-TUMOR EFFECT POTENTIATOR CCNT1, CCNA1, UPP1 GPBAR1 2766/4885FFAR1 2926/4885KDM4E 4054/4885

“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.