SCHEMBL3910193

SCHEMBL3910193

CCc1oc(-c2ccc(C(F)(F)F)cc2)cc1/C=C/C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ESR1 P03372 2/20 0.42
FFAR1 O14842 2/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 5/20 0.41
PPARG P37231 4/20 0.41
ERAP1 Q9NZ08 1/20 0.40
AKR1C3 P42330 1/20 0.40
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
CYP1A1 P04798 3/20 0.38
CYP1B1 Q16678 3/20 0.38
AR P10275 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2E1 P05181 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL3910194 1.00 KDM4E (0.44) KDM4EALDH1A1ESR1FFAR1PPARD
SCHEMBL3906701 0.90 EIF4A1 (0.42) KDM4EALDH1A1ESR1FFAR1PPARD
SCHEMBL3906695 0.90 EIF4A1 (0.42) KDM4EALDH1A1ESR1FFAR1PPARD
SCHEMBL13791078 0.86 MLYCD (0.45) KDM4EESR1FFAR1CYP1A1CYP1B1
SCHEMBL3905122 0.85 ALDH1A1 (0.47) KDM4EALDH1A1ESR1FFAR1PPARD
SCHEMBL3905126 0.85 ALDH1A1 (0.47) KDM4EALDH1A1ESR1FFAR1PPARD
SCHEMBL3104847 0.82 CYP1A1 (0.42) ESR1FFAR1ERAP1CYP1A1CYP1B1
SCHEMBL3903168 0.78 ALDH1A1 (0.50) KDM4EALDH1A1FFAR1PPARDPPARG
SCHEMBL13791044 0.75 MLYCD (0.47) KDM4EESR1CYP1A1CYP1B1CYP3A4
SCHEMBL4429714 0.74 AR (0.48) KDM4EALDH1A1FFAR1PPARGERAP1

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-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 US disclosed
EP-1535915-A1 FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 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-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 KDM4E 3120/4885ALDH1A1 1096/4885ESR1 1310/4885

“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.