SCHEMBL29336758

SCHEMBL29336758

C=CCCC(C)(C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.44
CYP2C19 P33261 5/20 0.42
HIF1A Q16665 1/20 0.42
KMT2A Q03164 3/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP2C9 P11712 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP1A2 P05177 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 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
SCHEMBL30285474 0.87 ALDH1A1 (0.44) ALDH1A1TSHRHTTCYP2C19HIF1A
SCHEMBL29336761 0.84 ALDH1A1 (0.41) ALDH1A1TSHRHTTCYP2C19HIF1A
SCHEMBL31671374 0.84 OGG1 (0.41) ALDH1A1TSHRKMT2ASMN1; SMN2MEN1
SCHEMBL14850480 0.82 ALDH1A1 (0.62) ALDH1A1TSHRHTTCYP2C19HIF1A
SCHEMBL2927687 0.82 ALDH1A1 (0.62) ALDH1A1TSHRHTTCYP2C19HIF1A
SCHEMBL1035978 0.79 ALDH1A1 (0.53) ALDH1A1TSHRHTTCYP2C19HIF1A
SCHEMBL4005860 0.78 CYP2C19 (0.47) ALDH1A1TSHRCYP2C19HIF1AKMT2A
SCHEMBL173882 0.78 CYP2C19 (0.47) ALDH1A1TSHRHTTCYP2C19HIF1A
SCHEMBL3961232 0.78 CYP2C19 (0.47) ALDH1A1TSHRCYP2C19HIF1AKMT2A
SCHEMBL4006608 0.78 CYP2C19 (0.47) ALDH1A1TSHRCYP2C19HIF1AKMT2A

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-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION 2024-07-18 US disclosed
US-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION 2024-07-18 US disclosed
US-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION 2024-07-18 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 (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-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE CFTR, INMT, IDO1 ALDH1A1 784/4885TSHR 2973/4885HTT 553/4885

“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.