SCHEMBL64069

SCHEMBL64069

O=[C]c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.57
GAA P10253 2/20 0.53
MAPT P10636 1/20 0.53
ALDH1A1 P00352 3/20 0.52
ATM Q13315 3/20 0.46
CDC25B P30305 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SRD5A2 P31213 1/20 0.45
HSP90AA1 P07900 1/20 0.44
PKM P14618 1/20 0.44
CCR6 P51684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TLR9 Q9NR96 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
USP2 O75604 2/20 0.44
NR4A1 P22736 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 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
SCHEMBL1331831 1.00 AKR1C3 (0.57) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL7044239 0.86 LIG1 (0.61) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL10657458 0.86 AKR1C3 (0.52) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL7673359 0.85 AKR1C3 (0.61) AKR1C3GAAMAPTALDH1A1TDP1
SCHEMBL9130311 0.85 NR4A1 (0.61) MAPTALDH1A1L3MBTL1SRD5A2NPSR1
SCHEMBL525385 0.83 AKR1C3 (0.48) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL1812262 0.83 AKR1C3 (0.48) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL9249733 0.83 AKR1C3 (0.48) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL11044898 0.82 AKR1C3 (0.47) AKR1C3GAAMAPTALDH1A1ATM
SCHEMBL1637254 0.82 AKR1C3 (0.55) AKR1C3GAAMAPTALDH1A1ATM

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 348 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601371-B1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTERS EASTMAN CHEM CO (US) 2024-04-10 EP claimed
CN-110475791-B Regioselectively substituted cellulose esters 伊士曼化工公司 2021-12-21 CN claimed
CN-110520446-B Regioselectively substituted cellulose esters 伊士曼化工公司 2021-10-22 CN claimed
US-11136414-B2 Regioselectively substituted cellulose esters EASTMAN CHEMICAL COMPANY (US) 2021-10-05 US claimed
US-20210061965-A1 PACKAGING MATERIAL AND METHODS OF USING THE SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-03-04 US claimed
EP-3601371-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTERS Eastman Chemical Company (US) 2020-02-05 EP claimed
CN-110475791-A The cellulose esters that regioselectivity replaces EASTMAN CHEM CO 2019-11-19 CN claimed
WO-2018183467-A1 REGIOSELECTIVELY SUBSTITUTED CELLULOSE ESTERS EASTMAN CHEMICAL COMPANY (US) 2018-10-04 WO claimed
CN-107082765-A A kind of synthetic method of the phenylquinazoline of 2 chlorine 4 常州大学 2017-08-22 CN claimed
WO-2011038004-A1 METHODS AND COMPOSITIONS FOR IN-VIVO ENZYME CAPTURE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-03-31 WO claimed
EP-0983507-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 2000-03-08 EP claimed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 EP claimed
EP-0923734-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 1999-06-23 EP claimed
US-5840500-A OPIOD RECEPTORS AS ANALGESICS AND CENTRALLY ACTING PAIN KILLERS TREGA BIOSCIENCES, INC. (US) 1998-11-24 US claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998002741-A9 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES 1998-05-22 WO claimed
WO-1998002741-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-01-22 WO claimed
US-4006163-A POLYESTERS CIBA-GEIGY CORPORATION (US) 1977-02-01 US claimed
US-3932378-A Sulfonated disazo dyestuffs containing an ether group CIBA-GEIGY AG (CH) 1976-01-13 US claimed

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-20210061965-A1 PACKAGING MATERIAL AND METHODS OF USING THE SAME PARG, PARN, PCBP1 AKR1C3 4373/4885GAA 53/4885MAPT 1779/4885

“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.