SCHEMBL315476

SCHEMBL315476

COc1cc[c]c(Cl)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
KDM4E B2RXH2 3/20 0.33
CA9 Q16790 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 2/20 0.33
S1PR4 O95977 1/20 0.33
HSP90AA1 P07900 1/20 0.33
G6PD P11413 1/20 0.33
S1PR1 P21453 1/20 0.33
OPRK1 P41145 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
MCL1 Q07820 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TLR9 Q9NR96 1/20 0.33
ACHE P22303 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL159595 0.80 ALDH1A1 (0.39) KDM4ESMN1; SMN2MAPK1ALDH1A1
SCHEMBL2350414 0.80 CA12 (0.35) MAPTKDM4ECA9MAPK1S1PR4
SCHEMBL15389450 0.78 MAPT (0.33) MAPTKDM4ECA9MAPK1S1PR4
SCHEMBL8012068 0.78 KDM4E (0.31) KDM4ESMN1; SMN2MAPK1ALDH1A1
SCHEMBL1225214 0.78 NFE2L2 (0.36) MAPTKDM4ECA9SMN1; SMN2MAPK1
SCHEMBL4697712 0.77 PDE4A (0.41)
SCHEMBL1299017 0.77 MGAM (0.37) MAPTKDM4ECA9SMN1; SMN2MAPK1
SCHEMBL16974713 0.77 ALDH1A1 (0.33) KDM4ESMN1; SMN2MAPK1TDP1CYP3A4
SCHEMBL1637723 0.77 KDM4E (0.32) MAPTKDM4ECA9SMN1; SMN2MAPK1
SCHEMBL5209906 0.77 TP53 (0.43) MAPTKDM4EMAPK1MCL1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049490-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL]-L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS Astra Zeneca AB (SE) 2009-04-22 EP claimed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US claimed
US-7326705-B2 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 US claimed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 WO claimed
US-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method AHMAD SALEEM (US) 2005-06-23 US claimed
US-6884815-B1 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2005-04-26 US claimed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
EP-1041980-B1 ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2005-02-23 EP claimed
US-6534503-B1 Treating sexual dysfunction, such as erectile dysfunction or sexual arousal disorder, with a compound having the generic formula X1-X2-(D)Phe-Arg-(D)Trp-X3. A particularly useful compound is HP-228, which has the formula LION BIOSCIENCE AG (DE) 2003-03-18 US claimed
EP-1224183-A2 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2002-07-24 EP claimed
US-4299896-A Electrophotographic sensitive materials containing a disazo pigment RICOH CO., LTD. (JP) 1981-11-10 US claimed
US-4293628-A Electrophotographic elements containing disazo compounds RICOH CO., LTD. (JP) 1981-10-06 US claimed
US-4279981-A Electrophotographic elements containing trisazo compounds RICOH COMPANY, LTD. (JP) 1981-07-21 US claimed
US-4272598-A STYRYL DYES RICOH CO., LTD. (JP) 1981-06-09 US claimed
US-4260672-A Electrophotographic sensitive element having a photoconductive disazo pigment RICOH COMPANY, LTD. (JP) 1981-04-07 US claimed
US-4251614-A CARBAZOLE DERIVATIVES RICOH COMPANY, LTD. (JP) 1981-02-17 US claimed
US-4251613-A LAMINATE OF CONDUCTIVE SUPPORT AND PHOTOSENSITIVE LAYER RICOH COMPANY, LTD. (JP) 1981-02-17 US claimed
US-4250319-A RIPENER FOR SUGARCANE W. R. GRACE & CO. (US) 1981-02-10 US claimed
EP-0012611-A2 Electrophotographic element Ricoh Company, Ltd (JP) 1980-06-25 EP claimed
US-4010162-A Substituted phenanthroline pigments ALLIED CHEMICAL CORPORATION (US) 1977-03-01 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-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B MAPT 2378/4885KDM4E 2385/4885CA9 4623/4885
US-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method NHERF1, SLC9A3, SLC9A1 MAPT 4881/4885KDM4E 4561/4885CA9 1752/4885

“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.