SCHEMBL133410

SCHEMBL133410

NCc1cccc2c1ccc1ccccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.58
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 3/20 0.50
CYP2A6 P11509 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
PAX8 Q06710 1/20 0.43
HIF1A Q16665 1/20 0.43
CYP1B1 Q16678 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
CYP2D6 P10635 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42

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
SCHEMBL29729625 1.00 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL110689 0.87 CYP1A2 (0.58) ALDH1A1HSD17B10TSHRTDP1KDM4E
SCHEMBL29484446 0.87 CYP1A2 (0.58) ALDH1A1HSD17B10TSHRTDP1KDM4E
Iodide SCHEMBL19990736 0.85 CYP1A2 (0.56) ALDH1A1HSD17B10TSHRTDP1KDM4E
Hydrochloric Acid SCHEMBL1922860 0.85 CYP1A2 (0.56) ALDH1A1HSD17B10TSHRTDP1CYP1A2
Ammonia Solution, Strong SCHEMBL9173309 0.85 CYP1A2 (0.56) ALDH1A1HSD17B10TSHRTDP1KDM4E
Hydrochloric Acid SCHEMBL3665862 0.85 CYP1A2 (0.56) ALDH1A1HSD17B10TSHRTDP1CYP1A2
Bromide SCHEMBL22401521 0.85 CYP1A2 (0.56) ALDH1A1HSD17B10TSHRTDP1KDM4E
SCHEMBL20593911 0.85 CYP1A2 (0.56) ALDH1A1HSD17B10TSHRTDP1KDM4E
SCHEMBL9296420 0.84 HPRT1 (0.54) HPRT1ALDH1A1HSD17B10CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111868955-A Organic electroluminescent element 日铁化学材料株式会社 2020-10-30 CN disclosed
CN-106748820-B A kind of luxuriant and rich with fragrance methyl aminated compounds of substitution and its synthetic method 天津工业大学 2019-04-19 CN disclosed
CN-106748820-A The luxuriant and rich with fragrance methyl aminated compounds of one kind substitution and its synthetic method 天津工业大学 2017-05-31 CN disclosed
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 EP disclosed
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
EP-1844766-B1 Inhibitors against the production and release of inflammatory cytokines INST MED MOLECULAR DESIGN INC (JP) 2012-04-18 EP disclosed
EP-1352650-B1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES INST MED MOLECULAR DESIGN INC (JP) 2012-03-07 EP disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 US disclosed
EP-1555018-A1 REMEDIES FOR NEURODEGENERATIVE DISEASES Institute of Medicinal Molecular Design, Inc. (JP) 2005-07-20 EP disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1535610-A1 THERAPEUTIC AGENT FOR CANCER Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512397-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 US disclosed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 EP 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 (3 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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A HPRT1 3569/4885ALDH1A1 479/4885HSD17B10 632/4885
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 HPRT1 3383/4885ALDH1A1 366/4885HSD17B10 463/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB HPRT1 3699/4885ALDH1A1 1025/4885HSD17B10 704/4885

“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.