SCHEMBL404478

SCHEMBL404478

CCOc1ccc(-c2ccc(OC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.67
MAPT P10636 3/20 0.56
GAA P10253 1/20 0.56
ESR2 Q92731 1/20 0.54
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ESR1 P03372 2/20 0.53
AHR P35869 1/20 0.53
KDM4E B2RXH2 3/20 0.53
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
RAB9A P51151 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL22451370 0.94 LTA4H (0.61) NQO1MAPTGAAESR2TSHR
1-Methoxy-4-Ethoxybenzene SCHEMBL354674 0.93 NQO1 (0.78) NQO1MAPTGAATSHRTDP1
SCHEMBL18417193 0.90 NQO1 (0.82) NQO1GAATSHRTDP1KDM4E
SCHEMBL5833291 0.90 NQO1 (0.82) NQO1GAATSHRTDP1KDM4E
SCHEMBL9155582 0.90 NQO1 (0.82) NQO1GAATSHRTDP1KDM4E
SCHEMBL19339337 0.86 LTA4H (0.68) NQO1MAPTGAATSHRTDP1
SCHEMBL13048467 0.83 NQO1 (0.70) NQO1GAATSHRTDP1KDM4E
SCHEMBL22788361 0.82 NQO1 (0.50) NQO1MAPTGAATDP1ESR1
SCHEMBL8944288 0.82 NQO1 (0.61) NQO1MAPTGAATSHRTDP1
SCHEMBL11671912 0.82 LTA4H (0.63) NQO1MAPTGAATSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4570317-A2 COMPOUNDS FOR THE TREATMENT OF BOVINE OR SWINE RESPIRATORY DISEASE Intervet International B.V. (NL) 2025-06-18 EP disclosed
US-12227485-B2 Compounds useful for the treatment of infection with Mannheimia haemolytica or Histophilus somni INTERVET INC. (US) 2025-02-18 US disclosed
US-12157717-B2 Compounds for the treatment of bovine or swine respiratory disease INTERVET INC. (US) 2024-12-03 US disclosed
US-12077488-B2 Compounds useful for treating a Mannheimia haemolytica or Histophilus somni infection INTERVET INC. (US) 2024-09-03 US disclosed
US-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-04-25 US disclosed
WO-2024033418-A1 TOPICAL TREATMENT OF SKIN CANCER USING OLIGOPEPTIDES BACOBA AG (CH) 2024-02-15 WO disclosed
EP-4279476-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-22 EP disclosed
EP-4279476-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-22 EP disclosed
CN-116829524-A Method for alkylating acidic functional groups 中外制药株式会社 2023-09-29 CN disclosed
CN-110072844-B Compounds for the treatment of infection by Mannheimia haemolytica or histophilus somni 英特维特国际股份有限公司 2023-06-02 CN disclosed
WO-2004111058-A1 HETERORYL-FUSED PYRIMIDINYL COMPOUNDS AS ANTICANCER AGENTS CHIRON CORPORATION (US) 2004-12-23 WO disclosed
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, UNIVERSITY OF WASHINGTON 2004-11-18 US disclosed
WO-2004092360-A2 THE SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS CHIRON CORPORATION (US) 2004-10-28 WO disclosed
WO-2004087153-A2 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORPORATION (US) 2004-10-14 WO disclosed
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2004-09-09 US disclosed
WO-2004062601-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2004-07-29 WO disclosed
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-06-24 US disclosed
WO-2004048365-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER CHIRON CORPORATION (US) 2004-06-10 WO disclosed
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-05-06 US disclosed
WO-2003082272-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS CHIRON CORPORATION (US) 2003-10-09 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 (8 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-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF NQO1 1475/4885MAPT 3948/4885GAA 1389/4885
US-12077488-B2 Compounds useful for treating a Mannheimia haemolytica or Histophilus somni infection SORD, HEXD, SNRPD1 NQO1 162/4885MAPT 3738/4885GAA 314/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF NQO1 1475/4885MAPT 3981/4885GAA 1340/4885
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, PDF, DDOST, MRPL21 NQO1 2517/4885MAPT 3822/4885GAA 55/4885
US-12227485-B2 Compounds useful for the treatment of infection with Mannheimia haemolytica or Histophilus somni SORD, HEXD, SNRPD1 NQO1 263/4885MAPT 4017/4885GAA 566/4885
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use PI4KB, PI4KA, PDPK1 NQO1 2964/4885MAPT 1941/4885GAA 799/4885
US-12157717-B2 Compounds for the treatment of bovine or swine respiratory disease PIGS, BTD, PPARD NQO1 362/4885MAPT 2194/4885GAA 361/4885
US-20240132431-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP MGMT, MCL1, FANCF NQO1 323/4885MAPT 4829/4885GAA 695/4885

“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.