SCHEMBL1176321

SCHEMBL1176321

C=CCC1(OC(=O)C=C)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 4/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL15526050 0.90 TSHR (0.34) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL8102301 0.89 MEN1 (0.34) ALDH1A1MEN1KMT2APOLB
SCHEMBL9860889 0.89 MEN1 (0.34) ALDH1A1MEN1KMT2APOLB
SCHEMBL1580250 0.87 MEN1 (0.33) ALDH1A1MEN1KMT2APOLB
SCHEMBL21333042 0.85 TSHR (0.33) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL22772601 0.85 TSHR (0.33) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL22772606 0.85 TSHR (0.33) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL10448620 0.83 MEN1 (0.38) ALDH1A1MEN1KMT2APOLB
SCHEMBL5875350 0.83 TSHR (0.36) ALDH1A1TSHRTP53HIF1ACYP3A4
SCHEMBL8102309 0.83 HCAR2 (0.34) ALDH1A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109952116-B Solid non-aqueous gel air odorants 陶氏环球技术有限责任公司 2021-02-09 CN disclosed
US-8475999-B2 Compound and photoresist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-8173353-B2 Sulfonium compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-20110223391-A1 Ink Composition for Ink Jet Recording of the Active Energy Beam Curing Type, and Printed Article THE INCTEC INC. (JP) 2011-09-15 US disclosed
US-20110091818-A1 PROCESS FOR PRODUCING PHOTORESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-04-21 US disclosed
US-20110039208-A1 PHOTORESIST COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 US disclosed
US-20110039209-A1 COMPOUND AND PHOTORESIST COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 US disclosed
US-20100273113-A1 PROCESS FOR PRODUCING PHOTORESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-28 US disclosed
US-20100273112-A1 PROCESS FOR PRODUCING PHOTORESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-28 US disclosed
US-20100248135-A1 SULFONIUM COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 US 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 (2 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-20100248135-A1 SULFONIUM COMPOUND PFAS, F12, AFF1 ALDH1A1 1434/4885MEN1 3801/4885KMT2A 923/4885
US-20110039209-A1 COMPOUND AND PHOTORESIST COMPOSITION CONTAINING THE SAME RCOR3, RCN1, HRH4 ALDH1A1 1871/4885MEN1 2367/4885KMT2A 2143/4885

“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.