SCHEMBL15723950

SCHEMBL15723950

CC(C)c1ncccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
PDK2 Q15119 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 3/20 0.41
TOP1 P11387 1/20 0.41
HTT P42858 1/20 0.40
GCGR P47871 1/20 0.40
PTPRC P08575 2/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
PTPN13 Q12923 1/20 0.39
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
KCNA5 P22460 1/20 0.38
KCNH2 Q12809 1/20 0.38
HPGD P15428 1/20 0.37
BCL2L1 Q07817 1/20 0.37
CYP2A6 P11509 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL14555509 0.96 PTGS2 (0.45) PTGS1PTGS2PDK2ALDH1A1HSD17B10
SCHEMBL15723954 0.92 PTGS2 (0.41) PTGS1PTGS2PDK2ALDH1A1HSD17B10
SCHEMBL7559743 0.86 PDK2 (0.42) PTGS1PTGS2PDK2ALDH1A1HSD17B10
SCHEMBL22601441 0.86 MAPT (0.39) PDK2ALDH1A1HSD17B10HTTKCNA5
SCHEMBL15723877 0.84 COMT (0.46) PDK2ALDH1A1GCGRHPGDPOLB
SCHEMBL20466883 0.83 PTGS1 (0.39) PTGS1PTGS2PDK2ALDH1A1HSD17B10
SCHEMBL7556356 0.83 ALDH1A1 (0.41) PTGS1PTGS2PDK2ALDH1A1HSD17B10
SCHEMBL9963326 0.82 GCGR (0.42) PTGS2TOP1GCGR
SCHEMBL15723977 0.82 CYP2A6 (0.52) PTGS2ALDH1A1HSD17B10HTTKCNA5
SCHEMBL18853955 0.82 TDP1 (0.41) PTGS1PTGS2ALDH1A1HSD17B10GCGR

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210217973-A1 Tetradentate Cyclometalated Platinum Complexes Containing 9,10-Dihydroacridine And Its Analogues UNIV ARIZONA STATE (US) 2021-07-15 US disclosed
US-11011712-B2 Tetradentate cyclometalated platinum complexes containing 9,10-dihydroacridine and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2021-05-18 US disclosed
US-20210009557-A1 ACYCLIC CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. 2021-01-14 US disclosed
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
US-20180223045-A1 POLYIMIDE PRECURSOR COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2018-08-09 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
US-9941479-B2 Tetradentate cyclometalated platinum complexes containing 9,10-dihydroacridine and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-04-10 US disclosed
EP-3185332-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2017-06-28 EP disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 US 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN PTGS1 1484/4885PTGS2 2700/4885PDK2 3460/4885
US-11011712-B2 Tetradentate cyclometalated platinum complexes containing 9,10-dihydroacridine and its analogues DPYD, DCTD, TYMP PTGS1 2771/4885PTGS2 3525/4885PDK2 1289/4885
US-20210217973-A1 Tetradentate Cyclometalated Platinum Complexes Containing 9,10-Dihydroacridine And Its Analogues DPYD, DCTD, TYMP PTGS1 2771/4885PTGS2 3525/4885PDK2 1289/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN PTGS1 1484/4885PTGS2 2700/4885PDK2 3460/4885
US-20210009557-A1 ACYCLIC CXCR4 INHIBITORS AND USES THEREOF CXCR4, CXCR3, CXCR1 PTGS1 778/4885PTGS2 1348/4885PDK2 860/4885
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 PTGS1 816/4885PTGS2 2558/4885PDK2 1241/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PTGS1 1484/4885PTGS2 2700/4885PDK2 3460/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PTGS1 1484/4885PTGS2 2700/4885PDK2 3460/4885

“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.