SCHEMBL4391948

SCHEMBL4391948

C#CCCCOCCCC#C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
CA9 Q16790 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA2 P00918 1/20 0.35
CA12 O43570 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 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
SCHEMBL9585705 0.90 CYP1A2 (0.39) TSHRCA9CYP1A2CYP2D6MAPT
SCHEMBL19233495 0.88 MAPT (0.37) TSHRCA9CYP1A2CYP2D6MAPT
SCHEMBL25755556 0.87 TSHR (0.37) TSHRCYP1A2CYP2D6MAPTCYP2C9
SCHEMBL25755554 0.87 TSHR (0.48) TSHRMAPTMAOAMAOB
SCHEMBL22758907 0.87 ODC1 (0.38) TSHRCA9CA2
SCHEMBL1014592 0.87
SCHEMBL13913112 0.87
SCHEMBL15775433 0.87
SCHEMBL25032633 0.84
SCHEMBL22796821 0.84 ALDH1A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP claimed
EP-0263259-B1 PROCESS AND CATALYST SYSTEM FOR THE TRIMERIZATION OF ACETYLENE AND ACETYLENE COMPOUNDS HÜLS AKTIENGESELLSCHAFT (DE) 1991-06-19 EP claimed
WO-2015153217-A1 CELLULOSE ETHERS HAVING 1,2,3-TRIAZOLYL SUBSTITUENTS DOW GLOBAL TECHNOLOGIES LLC (US) 2015-10-08 WO disclosed
WO-2015153216-A1 PENTYNYL CELLULOSE ETHERS DOW GLOBAL TECHNOLOGIES LLC (US) 2015-10-08 WO disclosed
US-20140073658-A1 Dipyridylamine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
EP-2684878-A1 DIPYRIDYLAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-01-15 EP disclosed
US-5248693-A Antiallergens, antiinflammatory agents CIBA-GEIGY CORPORATION (US) 1993-09-28 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 (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-20140073658-A1 Dipyridylamine Derivative GCK, GCKR, GALK1 TSHR 2035/4885CA9 3044/4885CYP1A2 1655/4885

“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.