SCHEMBL6536167

SCHEMBL6536167

COc1cccc(C=O)c1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.53
TLR2 O60603 1/20 0.53
TLR1 Q15399 1/20 0.53
TLR6 Q9Y2C9 1/20 0.53
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SRC P12931 2/20 0.45
FAAH O00519 1/20 0.44
CNR2 P34972 1/20 0.44
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL27796132 0.87 ALDH1A1 (0.43) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL20767517 0.85 FAAH (0.43) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL3728677 0.84 LTA4H (0.52) ALDH1A1CYP2C19HTTFAAHCNR2
SCHEMBL20767525 0.82 CCNB2 (0.58) ERN1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL28749394 0.81 ERN1 (0.44) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL1494208 0.81 ERN1 (0.58) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL3266741 0.81 ERN1 (0.50) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL2875694 0.81 ALDH1A1 (0.50) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL17821776 0.80 ERN1 (0.53) ERN1TLR2TLR1TLR6CYP2C19
SCHEMBL21360162 0.79 ERN1 (0.47) ERN1TLR2TLR1TLR6SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250257027-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS (US) 2025-08-14 US disclosed
US-12269798-B2 Second generation GRP94-selective inhibitors UNIVERSITY OF KANSAS (US) 2025-04-08 US disclosed
US-20210300872-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS 2021-09-30 US disclosed
US-20210300872-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS 2021-09-30 US disclosed
US-11028041-B2 Second generation GRP94-selective inhibitors UNIVERSITY OF KANSAS (US) 2021-06-08 US disclosed
US-11028041-B2 Second generation GRP94-selective inhibitors UNIVERSITY OF KANSAS (US) 2021-06-08 US disclosed
US-20200190017-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS 2020-06-18 US disclosed
US-20200190017-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS 2020-06-18 US disclosed
WO-2019040792-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS (US) 2019-02-28 WO disclosed
WO-2019040792-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS (US) 2019-02-28 WO disclosed
EP-1150954-B1 ANTI-IMFLAMMATORY INDOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-10-13 EP disclosed
CN-1505603-A Substituted benzoic ac id derivatives exhibiting nf-kappab inhibiting activity ��һ��������ҩ��ʽ���� 2004-06-16 CN disclosed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP disclosed
US-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-12-04 US disclosed
CN-1460097-A NF-kB inhibitor containing substituted benzoic acid derivative as active ingredient DAIICHI SUNTORY SEIYAKU CO LTD (JP) 2003-12-03 CN disclosed
US-6569888-B1 Such as ethyl-N-(dichlorobenzyl)-4-(3-hydroxypropylthio) indole-2-carboxylate; for treatment of arthritis ASTRAZENECA AB (SE) 2003-05-27 US disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 WO disclosed
CN-1351591-A Anti-inflammatory indole derivatives ASTRAZENECA AB (SE) 2002-05-29 CN disclosed
EP-1150954-A1 ANTI-IMFLAMMATORY INDOLE DERIVATIVES AstraZeneca AB (SE) 2001-11-07 EP disclosed
WO-2000046198-A1 ANTI-INFLAMMATORY INDOLE DERIVATIVES ASTRAZENECA AB (SE) 2000-08-10 WO 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 (6 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-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents TFPI, TFPI2, SERPINC1 ERN1 1774/4885TLR2 4537/4885TLR1 3900/4885
US-12269798-B2 Second generation GRP94-selective inhibitors HSP90B1, HSP90AB2P, HSPE1 ERN1 3410/4885TLR2 4602/4885TLR1 4827/4885
US-20210300872-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS HSP90B1, HSP90AB2P, HSPE1 ERN1 3410/4885TLR2 4602/4885TLR1 4827/4885
US-20250257027-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS HSP90B1, HSP90AB2P, HSPE1 ERN1 3392/4885TLR2 4618/4885TLR1 4834/4885
US-11028041-B2 Second generation GRP94-selective inhibitors HSP90B1, HSP90AB2P, HSPE1 ERN1 3392/4885TLR2 4618/4885TLR1 4834/4885
US-20200190017-A1 SECOND GENERATION GRP94-SELECTIVE INHIBITORS HSP90B1, HSP90AB2P, HSPE1 ERN1 3392/4885TLR2 4618/4885TLR1 4834/4885

“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.