SCHEMBL170690

SCHEMBL170690

COc1cccc(OC)c1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.55
TLR2 O60603 1/20 0.55
TLR1 Q15399 1/20 0.55
TLR6 Q9Y2C9 1/20 0.55
ALDH1A1 P00352 4/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
CA4 P22748 1/20 0.50
CYP1A1 P04798 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP1B1 Q16678 2/20 0.47
SRC P12931 1/20 0.46
AMY1A P0DUB6 1/20 0.46
TSHR P16473 2/20 0.45
KDM4E B2RXH2 3/20 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
SCHEMBL27685686 0.95 ERN1 (0.52) ERN1TLR2TLR1TLR6ALDH1A1
Bromomethane SCHEMBL28079811 0.95 ERN1 (0.52) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL953118 0.87 ERN1 (0.48) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL1028678 0.87 ERN1 (0.63) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL4541926 0.86 CYP1A2 (0.54) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL9956453 0.86 ERN1 (0.44) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL747870 0.86 TLR2 (0.44) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL743608 0.85 ALDH1A1 (0.57) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL15945775 0.85 ERN1 (0.47) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL305745 0.85 ERN1 (0.47) ERN1TLR2TLR1TLR6ALDH1A1

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 1959 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504612-A Quinazoline stilbene derivative and preparation method and application thereof 中国海洋大学 2025-02-25 CN claimed
US-12234384-B2 Adhesion-improving composition for textile material and associated reinforcing textile material PORCHER INDUSTRIES (FR) 2025-02-25 US claimed
EP-4347728-A1 UV LED FREE RADICAL CURABLE INKJET INKS AGFA NV (BE) 2024-04-10 EP claimed
CN-117777415-A Cobalt-carbole-based porous organic polymer, preparation method thereof and electrocatalytic oxygen reduction application 陕西师范大学 2024-03-29 CN claimed
US-11918671-B2 Multi-tone hair dyeing method in three steps HENKEL AG & CO. KGAA (DE) 2024-03-05 US claimed
US-20240025931-A1 Acylphosphine Oxide Photoinitiators and Applications Thereof AGFA NV (BE) 2024-01-25 US claimed
CN-117440994-A UV LED free radical curable inkjet ink 爱克发有限公司 2024-01-23 CN claimed
US-20230416547-A1 UV Curable Inkjet Inks and Inkjet Printing Methods AGFA NV (BE) 2023-12-28 US claimed
CN-114478219-B Synthetic method of natural product with broad-spectrum antibacterial activity 遵义医科大学 2023-12-12 CN claimed
WO-2023232305-A1 INKJET PRINTING METHODS AGFA NV (BE) 2023-12-07 WO claimed
US-4171438-A 0-2-Isocephem-4-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1979-10-16 US claimed
US-4166905-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1979-09-04 US claimed
US-4166906-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1979-09-04 US claimed
US-4145343-A BACTERICIDES UCB SOCIETE ANONYME (BE) 1979-03-20 US claimed
US-4139628-A ANTIBIOTICS U C B, SOCIETE ANONYME (BE) 1979-02-13 US claimed
US-4118566-A Δ2,3 -1,4-Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-10-03 US claimed
US-4113946-A Δ2,3 -1,4-Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-09-12 US claimed
US-4112230-A Δ2,3 -1,4 Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-09-05 US claimed
US-3984401-A Process for producing lactol-type cephalosporins TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-10-05 US claimed
US-3966720-A Process for producing desacetoxy cephalosporanic acid compound NIKKEN CHEMICALS CO., LTD. (JA) 1976-06-29 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 (2 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-20240025931-A1 Acylphosphine Oxide Photoinitiators and Applications Thereof DDO, PAM, SAT1 ERN1 2357/4885TLR2 2753/4885TLR1 1916/4885
US-11918671-B2 Multi-tone hair dyeing method in three steps TYR, HAO2, HAAO ERN1 4459/4885TLR2 4460/4885TLR1 3261/4885

“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.