SCHEMBL456067

SCHEMBL456067

CCc1cc[c]cc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 4/20 0.35
HPGD P15428 2/20 0.35
ATM Q13315 1/20 0.35
PTGS2 P35354 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
TSHR P16473 3/20 0.31
HTT P42858 2/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL8475524 0.84 HMGCR (0.43) TAAR1PTGS2ALDH1A1
SCHEMBL457842 0.83 TAAR1 (0.37) TAAR1L3MBTL1KDM4EPTGS2TSHR
SCHEMBL2480627 0.82 PDE4A (0.44) MAPTCA12CA1CA2CA4
SCHEMBL9409469 0.82 TAAR1 (0.37) TAAR1KDM4EMAPTATMCA12
SCHEMBL6436641 0.82 MCL1 (0.33) CA12CA1CA2CA4CA7
SCHEMBL7448619 0.82 L3MBTL1 (0.47) L3MBTL1KDM4EMAPTHPGDNPSR1
SCHEMBL6203846 0.82 IDO1 (0.37) CA12CA1CA2CA4CA7
SCHEMBL4409587 0.81 ALOX5 (0.42) PTGS2
SCHEMBL18705900 0.80 SLC6A4 (0.42) MAPTGAAALDH1A1
SCHEMBL58401 0.80 GABRA1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4673977-B2 2011-04-20 JP claimed
EP-1165085-B1 PHTHALAZINE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES NOVARTIS AG (CH) 2006-06-14 EP claimed
US-20050176711-A1 Phthalazine derivatives for treating inflammatory diseases BOLD GUIDO (CH) 2005-08-11 US claimed
US-6911440-B2 Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2005-06-28 US claimed
US-20040142934-A1 Phthalazine derivatives for treating inflammatory diseases BOLD GUIDO (CH) 2004-07-22 US claimed
US-6686347-B2 RHEUMATIC DISEASES; ANALGESICS; ENZYME INHIBITORS NOVARTIS AG (CH) 2004-02-03 US claimed
US-20030013718-A1 Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2003-01-16 US claimed
EP-1165085-A1 PHTHALAZINE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES Novartis AG (CH) 2002-01-02 EP claimed
WO-2000059509-A1 PHTHALAZINE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES NOVARTIS AG (CH) 2000-10-12 WO claimed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
US-9771369-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-09-26 US disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
CN-103562342-B Organic light emitting device and method of manufacturing the same 株式会社LG化学 2017-02-15 CN disclosed
EP-1165085-A1 PHTHALAZINE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES Novartis AG (CH) 2002-01-02 EP disclosed
US-6184245-B1 Cyclic ketone derivatives and their medical applications TORAY INDUSTRIES INC. (JP) 2001-02-06 US disclosed
WO-2000059509-A1 PHTHALAZINE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES NOVARTIS AG (CH) 2000-10-12 WO disclosed
US-6100292-A Ketone derivatives and their medical applications TORAY INDUSTRIES, INC. (JP) 2000-08-08 US disclosed
EP-0980867-A1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2000-02-23 EP disclosed
EP-0962456-A1 CYCLIC KETONE DERIVATIVE AND PHARMACEUTICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1999-12-08 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-20030013718-A1 Phthalazine derivatives for treating inflammatory diseases FLT1, KDR, FFAR2 TAAR1 1071/4885L3MBTL1 2284/4885KDM4E 1959/4885
US-20040142934-A1 Phthalazine derivatives for treating inflammatory diseases KDR, FLT1, TIE1 TAAR1 1173/4885L3MBTL1 4604/4885KDM4E 2156/4885
US-20050176711-A1 Phthalazine derivatives for treating inflammatory diseases FLT1, FLT4, KDR TAAR1 746/4885L3MBTL1 1941/4885KDM4E 1984/4885

“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.