SCHEMBL644078

SCHEMBL644078

c1ccc(CC2CCCc3ccccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.61
ESR1 P03372 2/20 0.54
ESR2 Q92731 2/20 0.54
SLC22A1 O15245 1/20 0.50
PRCP P42785 1/20 0.50
ALDH1A1 P00352 1/20 0.47
CYP19A1 P11511 1/20 0.47
TBXAS1 P24557 1/20 0.47
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46

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
SCHEMBL9311027 0.89 HTR6 (0.75) HTR6ESR1ESR2SLC22A1PRCP
SCHEMBL8272614 0.87 HTR6 (0.55) HTR6ESR1ESR2CYP19A1TBXAS1
SCHEMBL29417928 0.87 HTR6 (0.59) HTR6ESR1ESR2PRCPCYP19A1
SCHEMBL4971572 0.83 CYP19A1 (0.51) CYP19A1TBXAS1
SCHEMBL7898127 0.81 IDO1 (0.52) HTR6CYP19A1TBXAS1
SCHEMBL23023008 0.79 HTR2A (0.55) HTR6ALDH1A1
SCHEMBL10998322 0.79 SIGMAR1 (0.53) CYP19A1TBXAS1
SCHEMBL10033952 0.78 SIGMAR1 (0.70) CYP19A1
SCHEMBL598590 0.78 CYP19A1 (0.49) CYP19A1TBXAS1
SCHEMBL643387 0.78 HTR6 (0.56) HTR6CYP19A1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110177673-A System for using fluid matrix supporter printing three-dimension object 迪斯卡尔斯有限责任公司 2019-08-27 CN claimed
CN-1232486-C Mono-and polybenzyl-1,2,3,4-tetrahydronaphthalene compsns, use of said compsns. or mixture of monobenzyl-1,2,3,4-tetrahydronaphthalene isomers as heat transfer fluid ATOFINA (FR) 2005-12-21 CN claimed
US-6888036-B2 Mono-and polybenzyl-1,2,3,4-tetrahydronaphthalene compositions, use of said compositions or mixture of monobenzyl-,1,2,3,4-tetrahydronaphthalene as heat transfer fluid ARKEMA (FR) 2005-05-03 US claimed
US-20040077907-A1 Mono-and polybenzyl-1,2,3,4-tetrahydronaphthalene compositions, use of said compositions or mixture of monobenzyl-,1,2,3,4-tetrahydronaphthalene as heat transfer fluid ATOFINA (FR) 2004-04-22 US claimed
EP-1268374-B1 MONO- AND POLYBENZYL-1,2,3,4-TETRAHYDRONAPHTHALENE COMPOSITIONS, USE OF SAID COMPOSITIONS OR MIXTURE OF MONOBENZYL-1,2,3,4-TETRAHYDRONAPHTHALENE ISOMERS AS HEAT TRANSFER FLUID ATOFINA (FR) 2003-11-05 EP claimed
CN-1431983-A Mono-and polybenzyl-1,2,3,4-tetrahydronaphthalene compsns, use of said compsns. or mixture of monobenzyl-1,2,3,4-tetrahydronaphthalene isomers as heat transfer fluid ATOFINA (FR) 2003-07-23 CN claimed
EP-1268374-A1 MONO- AND POLYBENZYL-1,2,3,4-TETRAHYDRONAPHTHALENE COMPOSITIONS, USE OF SAID COMPOSITIONS OR MIXTURE OF MONOBENZYL-1,2,3,4-TETRAHYDRONAPHTHALENE ISOMERS AS HEAT TRANSFER FLUID Atofina (FR) 2003-01-02 EP claimed
WO-2001072672-A1 MONO- AND POLYBENZYL-1,2,3,4-TETRAHYDRONAPHTHALENE COMPOSITIONS, USE OF SAID COMPOSITIONS OR MIXTURE OF MONOBENZYL-1,2,3,4-TETRAHYDRONAPHTHALENE ISOMERS AS HEAT TRANSFER FLUID ATOFINA (FR) 2001-10-04 WO claimed
WO-2001042181-A1 BENZYL TETRALINS, FORMULATIONS AND USES THEREOF UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2001-06-14 WO claimed
CN-113668261-B Dyeing liquid for optical resin and application method thereof 拓烯科技(衢州)有限公司 2023-07-07 CN disclosed
CN-107722148-B Solid polyaluminoxane composition, catalyst for olefin polymerization, and method for producing olefin polymer 三井化学株式会社 2021-06-08 CN disclosed
CN-107722146-B Method for producing solid polyaluminoxane composition 三井化学株式会社 2021-02-26 CN disclosed
CN-110177673-A System for using fluid matrix supporter printing three-dimension object 迪斯卡尔斯有限责任公司 2019-08-27 CN disclosed
WO-2019150046-A1 USE OF A POLYARYL COMPOUND AS A HEAT-TRANSFER FLUID ARKEMA FRANCE (FR) 2019-08-08 WO disclosed
WO-2001042181-A1 BENZYL TETRALINS, FORMULATIONS AND USES THEREOF UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2001-06-14 WO disclosed
WO-2001042181-A1 BENZYL TETRALINS, FORMULATIONS AND USES THEREOF UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2001-06-14 WO disclosed
CN-1270947-A Multialkyl benzyl naphthalene mixture and its preparation and use INST OF YANSHAN PETROCHEMICAL (CN) 2000-10-25 CN disclosed
EP-0138741-B1 TEMPERATURE-INDICATING SHEET Matsumoto Kosan Kabushiki Kaisha (JP) 1990-11-07 EP disclosed
US-4601588-A COMPONENT WHICH MELTS AT A PORESCRIBED TEMPERATURE AND CHANGES COLOR, INDICATING FRESHNESS OF FROZEN FOODS MATSUMOTO KOSAN KABUSHIKI KAISHA (JP) 1986-07-22 US disclosed
EP-0009742-A1 Photoconductive masses based on synthetics and their use in the production of films and composite elements BASF Aktiengesellschaft (DE) 1980-04-16 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 (1 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-20040077907-A1 Mono-and polybenzyl-1,2,3,4-tetrahydronaphthalene compositions, use of said compositions or mixture of monobenzyl-,1,2,3,4-tetrahydronaphthalene as heat transfer fluid BPNT1, ABCB11, CYP1B1 HTR6 828/4885ESR1 3270/4885ESR2 3156/4885

“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.