SCHEMBL6442607

SCHEMBL6442607

Cc1cc(C)c(C(C)N)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 3/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
NOS3 P29474 3/20 0.33
NOS1 P29475 3/20 0.33
NOS2 P35228 3/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
HSD17B10 Q99714 1/20 0.30
NUDT1 P36639 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30

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
SCHEMBL23122285 1.00 RAPGEF4 (0.38) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL8285929 1.00 RAPGEF4 (0.38) RAPGEF4ALDH1A1KDM4ELMNAGAA
Hydrochloric Acid SCHEMBL4936154 0.97 SLC6A2 (0.38) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL1984068 0.80 RAPGEF4 (0.39) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL1985013 0.80 RAPGEF4 (0.39) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL3194506 0.80 RAPGEF4 (0.39) RAPGEF4ALDH1A1KDM4ELMNAGAA
Hydrochloric Acid SCHEMBL7203084 0.78 SLC6A2 (0.39) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL5163137 0.77 RAPGEF4 (0.41) RAPGEF4ALDH1A1KDM4ELMNAGAA
SCHEMBL27927634 0.77 RAPGEF4 (0.41) RAPGEF4ALDH1A1KDM4ELMNAGAA
Hydrochloric Acid SCHEMBL14119547 0.76 SLC6A2 (0.38) RAPGEF4ALDH1A1KDM4ELMNAGAA

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
CN-117586188-A Chiral N-imidazoline carbene and preparation method and application thereof 苏州源起材料科技有限公司 2024-02-23 CN disclosed
US-20230028114-A1 AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-26 US disclosed
EP-4031552-A1 AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2022-07-27 EP disclosed
WO-2021055326-A1 AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 WO disclosed
US-6894190-B2 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-17 US disclosed
US-20030232886-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2003-12-18 US disclosed
US-6653507-B2 Useful intermediate compound of pharmaceuticals for urinary incontinence SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-11-25 US disclosed
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2002-10-03 US disclosed
US-6403832-B1 MIXING ACID WITH AMINE, PRECIPITATING SALT, AND FILTERING; GOOD OPTICAL PURITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-11 US disclosed
EP-1074539-A2 Process for producing optically active 3,3,3,-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-07 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-20230028114-A1 AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES GPR139, GPR119, GPR39 RAPGEF4 1809/4885ALDH1A1 1955/4885KDM4E 4254/4885
US-20030232886-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, CYP8B1, CYP11B2 RAPGEF4 1419/4885ALDH1A1 141/4885KDM4E 3102/4885
US-20020143212-A1 Process for producing optically active 3,3,3-trifluoro-2-hydroxy-2-methylpropionic acid, and salt thereof ALDH1A2, ALDH7A1, ALDH18A1 RAPGEF4 1365/4885ALDH1A1 73/4885KDM4E 2234/4885

“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.