SCHEMBL10186707

SCHEMBL10186707

O=COc1ccc2ccccc2c1O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.48
LDHA P00338 1/20 0.46
ERN1 O75460 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
CYP1B1 Q16678 2/20 0.41
CYP1A1 P04798 1/20 0.40

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
SCHEMBL18889148 0.81 PTPN22 (0.48) PTPN22LDHAMAPTTDP1CYP1A2
SCHEMBL22284140 0.78 PTPN22 (0.58) PTPN22LDHAMAPTTDP1CYP1A2
SCHEMBL18650742 0.78 NCEH1 (0.51) L3MBTL1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL27607719 0.78 NCEH1 (0.53) ERN1L3MBTL1MAPTNPC1RAB9A
SCHEMBL20179452 0.78 LMNA (0.51) ERN1L3MBTL1MAPTNPC1RAB9A
SCHEMBL30657140 0.78 NCEH1 (0.53) ERN1L3MBTL1MAPTNPC1RAB9A
SCHEMBL2946 0.76 ALDH1A1 (0.47) L3MBTL1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8130488 0.76 LDHA (0.45) LDHACYP1A2CYP2C9CYP2C19ABCG2
SCHEMBL17291109 0.75 MAPT (0.38) L3MBTL1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL18961752 0.75 GPR35 (0.53) ERN1L3MBTL1MAPTSMN1; SMN2GAA

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-116134983-A Organic light emitting device 株式会社LG化学 2023-05-16 CN disclosed
CN-103534238-B Total synthesis of redox active 1, 4-naphthoquinones and their metabolites and their therapeutic use as antimalarial and schistosomimetics 国家科研中心 2018-01-02 CN disclosed
US-8530138-B2 Salt and photoresist composition comprising the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-10 US disclosed
US-8524440-B2 Photoresist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-03 US disclosed
US-20120052440-A1 SALT AND PHOTORESIST COMPOSITION COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 US disclosed
US-20110318690-A1 COMPOUND, RESIN AND PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110236827-A1 RESIN AND PHOTORESIST COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-09-29 US disclosed
US-20110165513-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY LTD (JP) 2011-07-07 US disclosed
US-20110059400-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-10 US disclosed
CN-1646527-A Pharmaceutical comprising BETAMIMETICS and novel anticholinesterases BOEHRINGER INGELHEIM PHARMA (DE) 2005-07-27 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 (4 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-20120052440-A1 SALT AND PHOTORESIST COMPOSITION COMPRISING THE SAME C1S, C1R, CLIC1 PTPN22 961/4885LDHA 4876/4885ERN1 3636/4885
US-20110059400-A1 PHOTORESIST COMPOSITION C1R, C1S, CCNT1 PTPN22 4400/4885LDHA 4444/4885ERN1 3159/4885
US-20110236827-A1 RESIN AND PHOTORESIST COMPOSITION CONTAINING THE SAME C1R, CBR1, RCOR1 PTPN22 3629/4885LDHA 4231/4885ERN1 2515/4885
US-20110318690-A1 COMPOUND, RESIN AND PHOTORESIST COMPOSITION RCOR1, C1R, C1S PTPN22 4517/4885LDHA 4652/4885ERN1 2806/4885

“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.