SCHEMBL8600837

SCHEMBL8600837

CC(C)(C)OOC(=O)c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
TSHR P16473 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRB3 P13945 2/20 0.47
POLB P06746 2/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL11413929 0.90 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10TDP1CES2
SCHEMBL155434 0.87 TSHR (0.68) ALDH1A1TSHRHSD17B10TDP1POLB
SCHEMBL29631091 0.87 TSHR (0.68) ALDH1A1TSHRHSD17B10TDP1POLB
Benzene SCHEMBL12472151 0.85 TSHR (0.71) ALDH1A1TSHRHSD17B10TDP1L3MBTL1
SCHEMBL11655234 0.85 TSHR (0.66) ALDH1A1TSHRHSD17B10TDP1POLB
SCHEMBL36252 0.82 CES2 (0.62) ALDH1A1TDP1CES2CES1POLB
SCHEMBL7756852 0.82 TSHR (0.58) ALDH1A1TSHRHSD17B10TDP1POLB
SCHEMBL27806654 0.81 CES2 (0.52) ALDH1A1CES2CES1ADRB2ADRB1
SCHEMBL2477857 0.80 ALDH1A1 (0.65) ALDH1A1TSHRHSD17B10TDP1SMN1; SMN2
SCHEMBL6055000 0.80 TSHR (0.59) ALDH1A1TSHRHSD17B10TDP1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0589386-B1 Fluorosilicone rubber composition DOW CORNING TORAY SILICONE (JP) 1998-02-04 EP claimed
US-10385010-B1 Expedient synthesis of oseltamivir and related compounds via direct olefin diazidation-diamidation reaction GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2019-08-20 US disclosed
CN-102933366-B Integrated irradiation device 迈图高新材料有限责任公司 2016-12-21 CN disclosed
CN-102933366-A Integrated irradiation device MOMENTIVE PERFORMANCE MAT INC 2013-02-13 CN 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-10385010-B1 Expedient synthesis of oseltamivir and related compounds via direct olefin diazidation-diamidation reaction TALDO1, DDO, DAO ALDH1A1 346/4885TSHR 2270/4885HSD17B10 2279/4885

“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.