SCHEMBL925940

SCHEMBL925940

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.42
FFAR4 Q5NUL3 4/20 0.38
FFAR1 O14842 1/20 0.38
CDK1 P06493 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GPR52 Q9Y2T5 2/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
P2RX3 P56373 2/20 0.36
LTA4H P09960 2/20 0.36
HTR1A P08908 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX5 P09917 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL5054277 1.00 AKR1C3 (0.42) AKR1C3FFAR4FFAR1CDK1ALDH1A1
SCHEMBL5133238 0.89 AKR1C3 (0.42) AKR1C3FFAR4FFAR1ALDH1A1GPR52
SCHEMBL925619 0.89 AKR1C3 (0.42) AKR1C3FFAR4FFAR1ALDH1A1GPR52
SCHEMBL5054276 0.73 AKR1C3 (0.37) AKR1C3FFAR4ALDH1A1P2RX3CYP1A2
SCHEMBL2586815 0.71 KMT2A (0.50) ALDH1A1RXRARXRBRXRGCYP2C9
SCHEMBL28886395 0.70 ALOX5 (0.63) ALDH1A1LTA4HHTR1ACYP1A2CYP2E1
SCHEMBL4262893 0.70 FFAR4 (0.53) FFAR4FFAR1P2RX3
SCHEMBL6930848 0.70 ALDH1A3 (0.53) FFAR4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL27547175 0.69 ALDH1A1 (0.47) ALDH1A1GPR52LTA4HHTR1ACYP1A2
SCHEMBL19307545 0.69 FFAR4 (0.60) FFAR4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1965915-B1 SUPPORTED TRANSITION METAL COMPLEX AND USE THEREOF IN CATALYSIS RAPP POLYMERE GMBH (DE) 2014-08-13 EP disclosed
US-20110009621-A1 SUPPORTED TRANSITION METAL COMPLEX AND USE THEREOF IN CATALYSIS Raap Polymere GmbH (DE) 2011-01-13 US disclosed
EP-1965915-A1 SUPPORTED TRANSITION METAL COMPLEX AND USE THEREOF IN CATALYSIS Rapp Polymere GmbH (DE) 2008-09-10 EP disclosed
WO-2007065907-A1 SUPPORTED TRANSITION METAL COMPLEX AND USE THEREOF IN CATALYSIS RAPP POLYMERE GMBH (DE) 2007-06-14 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-20110009621-A1 SUPPORTED TRANSITION METAL COMPLEX AND USE THEREOF IN CATALYSIS SCO2, SOD1, PPIF AKR1C3 1244/4885FFAR4 4669/4885FFAR1 4660/4885

“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.