SCHEMBL722161

SCHEMBL722161

O=[C]c1ccccc1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.46
HTR2A P28223 1/20 0.45
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43
DAO P14920 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTRC Q99895 3/20 0.39
TSHR P16473 1/20 0.39
NR1H2 P55055 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALOX5 P09917 1/20 0.38
FEN1 P39748 1/20 0.38

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
SCHEMBL10628200 0.81 CYP1A2 (0.43) CALM1HTR2ABCL2BCL2L1DAO
SCHEMBL6210675 0.81 HTR1A (0.44) HTR2ANR1H2
SCHEMBL2870972 0.78 CALM1 (0.46) CALM1HTR2ABCL2BCL2L1CTRC
SCHEMBL1252940 0.78 TSHR (0.48) CALM1HTR2ABCL2BCL2L1TSHR
SCHEMBL11731628 0.77 HTR2A (0.54) CALM1HTR2ABCL2BCL2L1DAO
SCHEMBL8070651 0.77 CYP19A1 (0.42) TSHR
SCHEMBL16097299 0.76 TSHR (0.56) DAOL3MBTL1TSHR
SCHEMBL6808133 0.76 CYP11B1 (0.44) CALM1BCL2BCL2L1CYP1A2CYP2D6
SCHEMBL9393660 0.76 LOXL2 (0.42) CALM1HTR2ADAOTSHRCYP1A2
SCHEMBL972711 0.75 CALM1 (0.69) CALM1HTR2ABCL2BCL2L1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091597-B2 Packaging material and methods of using the same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-08-17 US claimed
US-20210061965-A1 PACKAGING MATERIAL AND METHODS OF USING THE SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-03-04 US claimed
CN-109691450-A The purposes of N- benzyl benzamide compound and combinations thereof, mix preparation 利民化工股份有限公司 2019-04-30 CN claimed
US-20180340049-A1 PACKAGING MATERIAL AND METHODS OF USING THE SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-11-29 US claimed
WO-2017203303-A1 IMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF DISEASES ASSOCIATED WITH CELL CYCLE DYSREGULATION UNIVERSITY OF PATRAS (GR) 2017-11-30 WO claimed
WO-2016128885-A1 A PROCESS FOR PREPARATION OF COBICISTAT LAURUS LABS PRIVATE LIMITED (IN) 2016-08-18 WO claimed
US-20080234300-A1 Pyrimido[5,4-c] Quinoline-2, 4-Diamine Derivatives and Methods of Use Thereof WYETH (US) 2008-09-25 US claimed
WO-2008109599-A1 PYRIMIDO [5,4-C] QUINOLINE-2, 4-DIAMINE DERIVATIVES AND METHODS OF USE THEREOF WYETH (US) 2008-09-12 WO claimed
EP-1466884-A1 Process for the preparation of resveratrol and its uses Sochinaz SA (CH) 2004-10-13 EP claimed
US-6764509-B2 Prosthetic heart valve with surface modification CARBOMEDICS INC. 2004-07-20 US claimed
EP-1307418-A2 PROCESS FOR THE PREPARATION OF CHIRAL 1,4-DIARYL-2-FLUORO-2-BUTENES BASF AKTIENGESELLSCHAFT (DE) 2003-05-07 EP claimed
WO-2002012155-A2 PROCESS FOR THE PREPARATION OF CHIRAL 1,4-DIARYL-2-FLUORO-2-BUTENES BASF AKTIENGESELLSCHAFT (DE) 2002-02-14 WO claimed
US-20010025196-A1 Prosthetic heart valve with surface modification CORCYM S.R.L. (IT) 2001-09-27 US claimed
EP-0192210-B1 CEPHEM COMPOUNDS AND PROCESSES FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-21 EP claimed
EP-0408973-A1 Antiherpes pentapeptides BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-01-23 EP claimed
EP-0254322-A1 Benzimidazole derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1988-01-27 EP claimed
EP-0106114-B1 FUNCTIONAL DERIVATIVES OF ACETIC ACID CONTAINING PHOSPHORUS, PROCESS FOR PREPARING THEM AND HERBICIDAL AND GROWTH REGULATING COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1986-11-12 EP claimed
JP-10139604-A None JP disclosed
EP-0254322-A1 Benzimidazole derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1988-01-27 EP disclosed
US-3936394-A Polymer adsorbents and method for manufacture thereof ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) 1976-02-03 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 (4 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-20210061965-A1 PACKAGING MATERIAL AND METHODS OF USING THE SAME PARG, PARN, PCBP1 CALM1 4465/4885HTR2A 1113/4885BCL2 1255/4885
US-20180340049-A1 PACKAGING MATERIAL AND METHODS OF USING THE SAME PARG, PARN, PCBP1 CALM1 4465/4885HTR2A 1113/4885BCL2 1255/4885
US-11091597-B2 Packaging material and methods of using the same PARG, PARN, PCBP1 CALM1 4465/4885HTR2A 1113/4885BCL2 1255/4885
US-20080234300-A1 Pyrimido[5,4-c] Quinoline-2, 4-Diamine Derivatives and Methods of Use Thereof DCK, PDK4, PDK2 CALM1 1696/4885HTR2A 1476/4885BCL2 1484/4885

“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.