SCHEMBL4375323

SCHEMBL4375323

C=CCC(C(=O)O)C(C)(C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.49
ALDH1A1 P00352 4/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.41
KIF11 P52732 5/20 0.40
KMT2A Q03164 3/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL4377967 0.79 CYP2C19 (0.46) CYP2C19HIF1AKIF11KMT2AMAPT
SCHEMBL9755832 0.77 CYP2C19 (0.48) CYP2C19ALDH1A1TSHRHIF1AKIF11
SCHEMBL9971684 0.76 CYP2C19 (0.43) CYP2C19ALDH1A1HIF1AKIF11KMT2A
SCHEMBL4378855 0.76 CYP1A2 (0.50) CYP2C19ALDH1A1HIF1AKMT2AMAPT
SCHEMBL4589967 0.74 HTT (0.44) CYP2C19ALDH1A1TSHRHTTHIF1A
SCHEMBL17757012 0.74 GRIK1 (0.39) CYP2C19TSHRKMT2AMAPTMEN1
SCHEMBL5420620 0.74 GRIK1 (0.39) CYP2C19TSHRKMT2AMAPTMEN1
SCHEMBL9785440 0.74 GRIK1 (0.39) CYP2C19TSHRKMT2AMAPTMEN1
SCHEMBL8909447 0.72 CYP2C19 (0.40) CYP2C19ALDH1A1HIF1AKIF11KMT2A
SCHEMBL8909445 0.72 CYP2C19 (0.40) CYP2C19ALDH1A1HIF1AKIF11KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7626023-B2 Compounds for treating tumors WYETH (US) 2009-12-01 US disclosed
US-20080221181-A1 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2008-09-11 US disclosed
US-7390910-B2 Compounds for treating tumors WYETH (US) 2008-06-24 US disclosed
WO-2005016958-A2 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2005-02-24 WO disclosed
US-20050037977-A1 Compounds for treating tumors WYETH HOLDINGS CORPORATION (US) 2005-02-17 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-20080221181-A1 COMPOUNDS FOR TREATING TUMORS RB1, MRPL9, BCOR CYP2C19 2819/4885ALDH1A1 367/4885TSHR 814/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR CYP2C19 2819/4885ALDH1A1 367/4885TSHR 814/4885

“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.