SCHEMBL9894281

SCHEMBL9894281

N#Cc1ccccc1B(O)OCCCO

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
ESR2 Q92731 1/20 0.33
TSHR P16473 3/20 0.33
ALDH1A1 P00352 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 1/20 0.31
AR P10275 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL840396 0.92 GAA (0.36) GAAESR2TSHRALDH1A1L3MBTL1
SCHEMBL1138569 0.90 ESR2 (0.35) GAAESR2TSHRALDH1A1L3MBTL1
SCHEMBL28813910 0.89 GAA (0.37) GAAESR2TSHRALDH1A1L3MBTL1
SCHEMBL18411232 0.79 GAA (0.43) GAATSHRALDH1A1L3MBTL1KDM4E
1,3-Propanediol SCHEMBL4733793 0.78 TSHR (0.41) GAAESR2TSHRALDH1A1L3MBTL1
SCHEMBL28575493 0.76 ALDH1A1 (0.36) GAATSHRALDH1A1KDM4EHPGD
SCHEMBL5953023 0.76 PTPN1 (0.31) L3MBTL1CYP1A2
SCHEMBL5952005 0.73 KDM4E (0.44) GAATSHRALDH1A1KDM4EHPGD
SCHEMBL28213045 0.73 TSHR (0.38) GAAESR2TSHRKDM4ECYP1A2
SCHEMBL28043669 0.73 TSHR (0.38) GAAESR2TSHRALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117497840-A Gel electrolyte, preparation method thereof and sodium ion battery 广东省豪鹏新能源科技有限公司 2024-02-02 CN disclosed
US-20190327974-A1 SYNERGISTS FOR IMPROVED PESTICIDES THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2019-10-31 US disclosed
WO-2018127928-A1 SYNERGISTS FOR IMPROVED PESTICIDES THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2018-07-12 WO disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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 (3 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-20190327974-A1 SYNERGISTS FOR IMPROVED PESTICIDES BCHE, DDT, DBF4 GAA 3495/4885ESR2 3370/4885TSHR 1047/4885
US-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 GAA 3822/4885ESR2 288/4885TSHR 1441/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 GAA 3822/4885ESR2 288/4885TSHR 1441/4885

“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.