SCHEMBL6487020

SCHEMBL6487020

CCCCCCCCC(O)C(O)CCCCCCCCC(=O)N(C)C

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.61
▸ FFAR1 O14842 2/20 0.55
▸ FFAR4 Q5NUL3 1/20 0.55
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ GPR84 Q9NQS5 8/20 0.47
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNB4 P30926 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ SPHK1 Q9NYA1 1/20 0.46
▸ FAAH O00519 1/20 0.45
▸ NFKB1 P19838 1/20 0.44

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
SCHEMBL20154334 1.00 ALDH1A1 (0.61) ALDH1A1FFAR1FFAR4MEN1KMT2A
SCHEMBL2410348 0.86 ALDH1A1 (0.81) ALDH1A1FFAR1FFAR4MEN1KMT2A
SCHEMBL168214 0.86 ALDH1A1 (0.81) ALDH1A1FFAR1FFAR4MEN1KMT2A
SCHEMBL5394356 0.86 ALDH1A1 (0.81) ALDH1A1FFAR1FFAR4MEN1KMT2A
SCHEMBL8564464 0.86 ALDH1A1 (0.81) ALDH1A1FFAR1FFAR4MEN1KMT2A
SCHEMBL13714936 0.86 ALDH1A1 (0.81) ALDH1A1FFAR1FFAR4MEN1KMT2A
SCHEMBL168532 0.86 ALDH1A1 (0.81) ALDH1A1FFAR1FFAR4MEN1KMT2A
SCHEMBL2484949 0.86 ALDH1A1 (0.81) ALDH1A1FFAR1FFAR4MEN1KMT2A
SCHEMBL22406917 0.86 ALDH1A1 (0.81) ALDH1A1FFAR1FFAR4MEN1KMT2A
SCHEMBL17061008 0.86 ALDH1A1 (0.81) ALDH1A1FFAR1FFAR4MEN1KMT2A

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-6908999-B2 Hydrolysis of N,N-disubstituted (2-(4-(alpha-phenyl-p-chloro-benzyl)piperazin-1-yl)ethoxy)acetamide, to form cetirizine and salts, used as antiallergens EGIS GYOGYSZERGYAR RT. (HU) 2005-06-21 — — US disclosed
EP-1233954-B1 A PROCESS FOR THE PREPARATION OF 2- 4-(ALPHA-PHENYL-P-CHLOROBENZYL)PIPERAZIN-1-YL]ETHOXY ACETIC ACID AND NOVEL INTERMEDIATES THEREFOR EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2004-10-20 — — EP disclosed
US-20030092911-A1 Hydrolysis in presence of phase transfer agents; antiallergens EGIS GYOGYSZERGYAR RT. (HU) 2003-05-15 — — US disclosed
EP-1233954-A1 A PROCESS FOR THE PREPARATION OF 2- 4-(ALPHA-PHENYL-P-CHLOROBENZYL)PIPERAZIN-1-YL]ETHOXY ACETIC ACID AND NOVEL INTERMEDIATES THEREFOR EGIS GYOGYSZERGYAR RT. (HU) 2002-08-28 — — EP disclosed
WO-2001040211-A1 A PROCESS FOR THE PREPARATION OF {2-[4-(α-PHENYL-p-CHLOROBENZYL)PIPERAZIN-1-YL]ETHOXY}ACETIC ACID AND NOVEL INTERMEDIATES THEREFOR EGIS Gyógyszergyár Rt. (HU) 2001-06-07 — — WO 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-20030092911-A1 Hydrolysis in presence of phase transfer agents; antiallergens CMA1, NAT1, CPN1 ALDH1A1 538/4885FFAR1 1566/4885FFAR4 1715/4885

“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.

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