SCHEMBL6043415

SCHEMBL6043415

CCCOCc1ccccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 5/20 0.49
FOLH1 Q04609 3/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 3/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
PTK2B Q14289 1/20 0.45
CLCN2 P51788 1/20 0.44
LMNA P02545 2/20 0.44
PTPN11 Q06124 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 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
SCHEMBL4564517 0.90 TSHR (0.54) TP53HTTALDH1A1FOLH1KDM4E
SCHEMBL27870368 0.89 TSHR (0.55) TP53HTTALDH1A1KDM4EPOLB
SCHEMBL12164265 0.86 KDM4E (0.55) TP53HTTALDH1A1FOLH1MRGPRX4
SCHEMBL23453516 0.85 TP53 (0.59) TP53HTTALDH1A1FOLH1MRGPRX4
SCHEMBL16244982 0.85 FOLH1 (0.54) TP53HTTALDH1A1FOLH1KDM4E
SCHEMBL11418283 0.84 TP53 (0.51) TP53HTTALDH1A1FOLH1MRGPRX4
Phthalic Acid SCHEMBL4558661 0.83 ALDH1A1 (0.58) TP53HTTALDH1A1KDM4EPOLB
SCHEMBL6043222 0.83 ALDH1A1 (0.69) TP53ALDH1A1KDM4EPOLBTSHR
SCHEMBL27484926 0.82 KMT2A (0.45) TP53ALDH1A1KDM4ETSHRKMT2A
SCHEMBL542329 0.82 ALDH1A1 (0.53) TP53HTTALDH1A1FOLH1MRGPRX4

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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 US disclosed
WO-2003103652-A1 METHODS OF TREATING ALZHEIMER’S DISEASE USING AROMATICALLY SUBSTITUTED ω-AMINO-ALKANOIC ACID AMIDES AND ALKANOIC ACID DIAMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 US disclosed
CN-1136556-A Aromatic group substituted W-amino alkyl amide and alkyl amide CIBA GEIGY CO LTD (CH) 1996-11-27 CN disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 EP 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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 TP53 1771/4885HTT 161/4885ALDH1A1 1039/4885

“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.