SCHEMBL9722899

SCHEMBL9722899

C=CCCCCCC(O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 6/20 0.44
USP2 O75604 5/20 0.44
MAPT P10636 4/20 0.44
CYP3A4 P08684 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
ABCC4 O15439 1/20 0.44
LPAR3 Q9UBY5 2/20 0.39
LMNA P02545 2/20 0.39
LPAR2 Q9HBW0 1/20 0.39
RECQL P46063 1/20 0.38
TRPA1 O75762 2/20 0.37
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL17122949 1.00 TSHR (0.46) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL8165095 1.00 TSHR (0.46) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL27849714 1.00 TSHR (0.46) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL13236426 1.00 TSHR (0.46) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL11773564 0.97
SCHEMBL27716053 0.95 USP2 (0.41) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL9133230 0.93 USP2 (0.49) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL7515825 0.93 USP2 (0.45) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL6942053 0.89
Formic Acid SCHEMBL28788699 0.88 ALDH1A1 (0.41) TSHRALDH1A1USP2MAPTCYP3A4

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
US-9466431-B2 Ionic compound and process for production thereof, and electrolytic solution and electrical storage device each utilizing the ionic compound NIPPON SHOKUBAI CO., LTD. (JP) 2016-10-11 US disclosed
US-20130295449-A1 IONIC COMPOUND AND PROCESS FOR PRODUCTION THEREOF, AND ELECTROLYTIC SOLUTION AND ELECTRICAL STORAGE DEVICE EACH UTILIZING THE IONIC COMPOUND NIPPON SHOKUBAI CO., LTD. (JP) 2013-11-07 US disclosed
US-8119839-B2 Carboxylic acid and antidepressant composition containing the same as active ingredient YAMADA APICULTURE CENTER, INC. (JP) 2012-02-21 US disclosed
US-8119839-B2 Carboxylic acid and antidepressant composition containing the same as active ingredient YAMADA APICULTURE CENTER, INC. (JP) 2012-02-21 US disclosed
US-20100184860-A1 Novel Carboxylic Acid and Antidepressant Composition Containing the Same as Active Ingredient YAMADA APICULTURE CENTER, INC. (JP) 2010-07-22 US disclosed
EP-0310972-B1 COMPOSITIONS HARDENABLE UNDER THE INFLUENCE OF RADICALS AND THEIR USE AS PASTE FILLERS BAYER AG (DE) 1992-02-19 EP disclosed
EP-0310972-A2 Compositions hardenable under the influence of radicals and their use as paste fillers BAYER AG (DE) 1989-04-12 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-20100184860-A1 Novel Carboxylic Acid and Antidepressant Composition Containing the Same as Active Ingredient HSD17B11, HCAR2, HSD11B1 TSHR 2525/4885ALDH1A1 109/4885USP2 2654/4885

“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.