SCHEMBL3420074

SCHEMBL3420074

Cc1ccc(C)c(C2CC2C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.50
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
FFAR4 Q5NUL3 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAPDH P04406 1/20 0.37
POLB P06746 1/20 0.37
HSPA1A P0DMV8 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 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
SCHEMBL24845309 0.86 FFAR1 (0.50) FFAR1ALDH1A1MEN1KMT2ACYP2C9
SCHEMBL3418572 0.83 FFAR1 (0.48) FFAR1ALDH1A1CYP2C9CYP2C19FFAR4
SCHEMBL1209469 0.81 CA1 (0.49) FFAR1ALDH1A1MEN1KMT2APOLB
SCHEMBL25447084 0.81 CA1 (0.49) FFAR1ALDH1A1MEN1KMT2APOLB
SCHEMBL2968543 0.81 MTNR1A (0.44) FFAR1ALDH1A1MEN1KMT2AHPGD
SCHEMBL24845071 0.80 FFAR1 (0.48) FFAR1ALDH1A1MEN1KMT2AFFAR4
SCHEMBL22098534 0.80 FFAR1 (0.48) FFAR1ALDH1A1MEN1KMT2ACYP2C9
SCHEMBL26186746 0.80 HTR2A (0.51) FFAR1ALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL14892502 0.79 FFAR1 (0.52) FFAR1
SCHEMBL3423257 0.79 FFAR1 (0.52) FFAR1

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
CN-103002741-A Method of crop enhancement SYNGENTA PARTICIPATIONS AG 2013-03-27 CN disclosed
US-7714136-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 US disclosed
US-20090258873-A1 Novel tetrahydropyridothiophenes PEKARI KLAUS 2009-10-15 US disclosed
US-20080206258-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-08-28 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 (2 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-20080206258-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 FFAR1 3294/4885ALDH1A1 615/4885MEN1 4691/4885
US-20090258873-A1 Novel tetrahydropyridothiophenes BAX, BCL2, CCAR2 FFAR1 3410/4885ALDH1A1 632/4885MEN1 4735/4885

“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.