SCHEMBL15728540

SCHEMBL15728540

CCCCOc1c(C(=O)O)ccc(C(=O)OC)c1OCCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CNR2 P34972 1/20 0.45
PLA2G2A P14555 2/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL12697311 0.93 CYP1A2 (0.51) L3MBTL1KDM4EALDH1A1HPGDCYP1A2
SCHEMBL12697313 0.90 TSHR (0.51) L3MBTL1KDM4EALDH1A1SMN1; SMN2CNR2
SCHEMBL17885951 0.86 L3MBTL1 (0.46) L3MBTL1KDM4EALDH1A1HPGDCYP1A2
SCHEMBL17934383 0.86 L3MBTL1 (0.46) L3MBTL1KDM4EALDH1A1HPGDCYP1A2
SCHEMBL7095147 0.83 CYP1A2 (0.56) L3MBTL1KDM4EALDH1A1HPGDCYP1A2
SCHEMBL8752104 0.83 TSHR (0.57) PLA2G2ATSHRTP53TDP1PLA2G4B
SCHEMBL12516907 0.82 CNR2 (0.49) ALDH1A1HPGDCNR2TSHRTP53
SCHEMBL28279461 0.81 PTPN11 (0.56) L3MBTL1KDM4EALDH1A1HPGDPLA2G2A
SCHEMBL27841694 0.81 KMT2A (0.47) L3MBTL1KDM4EALDH1A1CYP1A2CNR2
SCHEMBL17934323 0.80 TSHR (0.42) L3MBTL1KDM4EALDH1A1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142137-A1 HIV INTEGRASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (US) 2014-05-22 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-20140142137-A1 HIV INTEGRASE INHIBITORS IMPDH1, TYMP, IMPA1 L3MBTL1 224/4885KDM4E 2275/4885ALDH1A1 1197/4885

“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.