SCHEMBL20520150

SCHEMBL20520150

CCCCC(CC)Cc1cc(C(=O)O)ccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.43
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 2/20 0.41
CA2 P00918 1/20 0.41
PTPN11 Q06124 2/20 0.41
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
TTR P02766 1/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
PTPRC P08575 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PPARA Q07869 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL20519781 0.91 RARB (0.47) RARBPTPN11TSHR
SCHEMBL20519799 0.90 RARB (0.48) RARBPTPN11TSHR
SCHEMBL20520018 0.90 RARB (0.48) RARBPTPN11TSHR
SCHEMBL20519929 0.90 RARB (0.48) RARBPTPN11TSHR
SCHEMBL6690303 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4CA2PTPN11TSHR
Bicarbonate SCHEMBL28032502 0.83 KMT2A (0.54) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL9146896 0.80 TTR (0.44) ALDH1A1TTRPTPRCKMT2AMEN1
SCHEMBL28234184 0.80 PPARA (0.45) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL15741313 0.80 RARB (0.52) RARBALDH1A1PTPN11GAAHPGD
SCHEMBL29488620 0.80 RARB (0.52) RARBALDH1A1PTPN11GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180282257-A1 Aromatic Monoester Compositions and Processes for Preparing Same EXXONMOBIL CHEMICAL PATENTS INC. 2018-10-04 US claimed
US-20180282257-A1 Aromatic Monoester Compositions and Processes for Preparing Same EXXONMOBIL CHEMICAL PATENTS INC. 2018-10-04 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-20180282257-A1 Aromatic Monoester Compositions and Processes for Preparing Same ADH1A, ADH1C, GK RARB 726/4885ALDH1A1 142/4885CYP3A4 170/4885

“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.