SCHEMBL220769

SCHEMBL220769

CC=C(C)Oc1ccc(Cl)cc1C(C)=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MAPT P10636 2/20 0.50
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
KCNMA1 Q12791 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MEN1 O00255 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
ABCB11 O95342 1/20 0.40
POLB P06746 1/20 0.39
AHR P35869 1/20 0.39

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
SCHEMBL3691064 0.84 KMT2A (0.61) KMT2AMAPTNPC1RAB9AALDH1A1
SCHEMBL364764 0.79 ALDH1A1 (0.65) KMT2AMAPTNPC1RAB9AALDH1A1
SCHEMBL12513723 0.79 KMT2A (0.56) KMT2AMAPTNPC1RAB9AALDH1A1
SCHEMBL3045049 0.76 KMT2A (0.52) KMT2AMAPTNPC1RAB9AALDH1A1
SCHEMBL13727325 0.75 KMT2A (0.67) KMT2AMAPTNPC1RAB9AALDH1A1
SCHEMBL6447800 0.75 TTR (0.56) KMT2AMAPTNPC1RAB9AALDH1A1
SCHEMBL11786141 0.75 KMT2A (0.51) KMT2AMAPTNPC1RAB9AALDH1A1
SCHEMBL7861651 0.75 KMT2A (0.55) KMT2AMAPTNPC1RAB9AALDH1A1
SCHEMBL17282266 0.73 KMT2A (0.50) KMT2AMAPTNPC1RAB9AALDH1A1
SCHEMBL13446708 0.73 NPC1 (0.54) KMT2AMAPTNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088817-B2 Pyrrole derivative having, as substituents, ureido group, aminocarbonly group and bicyclic group which may have substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-01-03 US disclosed
US-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-06-09 US disclosed
EP-2319831-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDE GROUP, AMINOCARBONYL GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT Santen Pharmaceutical Co., Ltd (JP) 2011-05-11 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 (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-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT IL6, IL6ST, UACA KMT2A 3806/4885MAPT 4533/4885NPC1 3855/4885

“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.