SCHEMBL6004665

SCHEMBL6004665

NCCCC(O)C(O)CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.40
TRPA1 O75762 1/20 0.40
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2D6 P10635 2/20 0.37
SPHK1 Q9NYA1 2/20 0.37
GMNN O75496 1/20 0.37
POLB P06746 1/20 0.37
THPO P40225 1/20 0.37
MTOR P42345 1/20 0.37
BLM P54132 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CETP P11597 1/20 0.37
HTT P42858 1/20 0.37
UBE2N P61088 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL19159678 1.00 TRPV1 (0.40) TRPV1TRPA1LMNAL3MBTL1CYP2D6
SCHEMBL4395969 0.90 TRPV1 (0.48) TRPV1TRPA1LMNACYP2D6SPHK1
SCHEMBL13387147 0.88 TRPV1 (0.48) TRPV1TRPA1LMNASPHK1BLM
SCHEMBL14346145 0.82
SCHEMBL22321696 0.82
SCHEMBL11640496 0.82
Hydrochloric Acid SCHEMBL11366809 0.80 LMNA (0.40) TRPV1TRPA1LMNAL3MBTL1TDP1
SCHEMBL148994 0.79 TRPV1 (0.52) TRPV1TRPA1LMNACYP2D6SPHK1
SCHEMBL15871139 0.79 CYP2D6 (0.59) TRPV1TRPA1LMNACYP2D6SPHK1
SCHEMBL18533822 0.77 TRPV1 (0.57) TRPV1TRPA1LMNACYP2D6SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060110352-A1 Cosmetic, pharmaceutical and dermatological compositions CLARIANT GMBH 2006-05-25 US disclosed
US-6248338-B1 CROSSLINKED STARCH NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION 2001-06-19 US disclosed
WO-1999010277-A1 FUNCTIONALIZED MOLECULAR SIEVES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1999-03-04 WO disclosed
US-5864032-A Phosphoramidite derivatives, their preparation and the use thereof in the incorporation of reporter groups on synthetic oligonucleotides AMERSHAM INTERNATIONAL PLC (GB) 1999-01-26 US disclosed
US-5567811-A Phosphoramidite derivatives, their preparation and the use thereof in the incorporation of reporter groups on synthetic oligonucleotides AMERSHAM INTERNATIONAL PLC (GB) 1996-10-22 US disclosed
EP-0527184-B1 PHOSPHORAMIDITE DERIVATIVES, THEIR PREPARATION AND THE USE THEREOF IN THE INCORPORATION OF REPORTER GROUPS ON SYNTHETIC OLIGONUCLEOTIDES AMERSHAM INT PLC (GB) 1995-08-02 EP disclosed
EP-0527184-A1 PHOSPHORAMIDITE DERIVATIVES, THEIR PREPARATION AND THE USE THEREOF IN THE INCORPORATION OF REPORTER GROUPS ON SYNTHETIC OLIGONUCLEOTIDES. AMERSHAM INT PLC (GB) 1993-02-17 EP disclosed
WO-1991017169-A1 PHOSPHORAMIDITE DERIVATIVES, THEIR PREPARATION AND THE USE THEREOF IN THE INCORPORATION OF REPORTER GROUPS ON SYNTHETIC OLIGONUCLEOTIDES AMERSHAM INTERNATIONAL PLC (GB) 1991-11-14 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-20060110352-A1 Cosmetic, pharmaceutical and dermatological compositions CACNA1C, CACNA1G, CACNA1E TRPV1 67/4885TRPA1 81/4885LMNA 979/4885

“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.