SCHEMBL5433467

SCHEMBL5433467

CCCCOC(=O)CCNCC(CC)CCCC

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
CYP3A4 P08684 3/20 0.53
ATM Q13315 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 3/20 0.51
CA2 P00918 4/20 0.41
DGKA P23743 1/20 0.41
LMNA P02545 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP14 P50281 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CA1 P00915 1/20 0.39
EPHX2 P34913 2/20 0.39
RECQL P46063 1/20 0.39
HTR2C P28335 1/20 0.38
NAAA Q02083 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
SCHEMBL17779432 0.96 CYP3A4 (0.51) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL11085613 0.86 TSHR (0.56) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL27654343 0.85 TSHR (0.49) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL18314787 0.83 ATM (0.49) TSHRCYP3A4ATMTDP1CA2
SCHEMBL14028176 0.82 DGKA (0.43) ALDH1A1DGKALMNAEPHX2HTR2C
SCHEMBL29489877 0.82 TSHR (0.64) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL28642580 0.81 DGKA (0.46) ALDH1A1DGKALMNAEPHX2HTR2C
SCHEMBL27000290 0.81 CYP3A4 (0.49) TSHRCYP3A4ATMTDP1ALDH1A1
SCHEMBL13659026 0.81 DGKA (0.55) TSHRATMALDH1A1DGKALMNA
SCHEMBL9719720 0.80 TSHR (0.60) TSHRCYP3A4ATMTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725520-A2 FORMULATION AUXILIARY AGENTS (AMINOPROPANOIC ACID DERIVATIVE) IN COSMETIC OR DERMATOLIGICAL PREPARATIONS MERCK PATENT GmbH (DE) 2006-11-29 EP claimed
WO-2005074897-A2 FORMULATION AUXILIARY AGENTS (AMINOPROPANOIC ACID DERIVATIVE) IN COSMETIC OR DERMATOLOGICAL PREPARATIONS MERCK PATENT GMBH (DE) 2005-08-18 WO claimed
US-20070141014-A1 Formulation assistants MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2007-06-21 US disclosed
US-20070141014-A1 Formulation assistants MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2007-06-21 US disclosed
US-20070141014-A1 Formulation assistants MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2007-06-21 US disclosed
EP-1725520-A2 FORMULATION AUXILIARY AGENTS (AMINOPROPANOIC ACID DERIVATIVE) IN COSMETIC OR DERMATOLIGICAL PREPARATIONS MERCK PATENT GmbH (DE) 2006-11-29 EP disclosed
WO-2005074897-A2 FORMULATION AUXILIARY AGENTS (AMINOPROPANOIC ACID DERIVATIVE) IN COSMETIC OR DERMATOLOGICAL PREPARATIONS MERCK PATENT GMBH (DE) 2005-08-18 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-20070141014-A1 Formulation assistants C1S, C1R, AKR1C3 TSHR 2444/4885CYP3A4 104/4885ATM 3534/4885

“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.