SCHEMBL1093487

SCHEMBL1093487

c1cc(C2CC2)ccc1Sc1ccc(C2CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 12/20 0.44
POLB P06746 1/20 0.42
ESR1 P03372 6/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 2/20 0.40
NR1H2 P55055 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP2D6 P10635 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HTR2C P28335 1/20 0.34

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
SCHEMBL2884020 0.82 ESR2 (0.57) ESR2POLBESR1CYP3A4CYP2C9
SCHEMBL12045772 0.79 ESR2 (0.45) ESR2POLBESR1CYP3A4CYP2C9
SCHEMBL11588397 0.79 ESR2 (0.55) ESR2ESR1CYP3A4CYP2C9NR1H2
SCHEMBL18017090 0.74 NOTUM (0.41) NPC1RAB9A
SCHEMBL31759479 0.74 KDM4E (0.50) ESR2POLBESR1CYP3A4CYP2C9
SCHEMBL24961822 0.73 NPC1 (0.56) ESR2POLBESR1CYP3A4CYP2C9
SCHEMBL5147779 0.73 ESR2 (0.54) ESR2POLBESR1CYP3A4CYP2C9
SCHEMBL13906346 0.72 ESR2 (0.59) ESR2POLBNPC1
SCHEMBL944630 0.72 HTT (0.43) ESR2RAB9AHRH3
SCHEMBL5146632 0.71 ESR2 (0.52) ESR2POLBESR1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119615135-A Electroless copper plating additive, electroless copper plating solution and electroless copper plating method for IC carrier plate 深圳市板明科技股份有限公司 2025-03-14 CN claimed
CN-118970164-A Three-dimensional crosslinked gel polymer electrolyte and preparation method and application thereof 郑州比克电子有限责任公司 2024-11-15 CN claimed
CN-113122058-A Preparation method of ink and quantum dot film TCL集团股份有限公司 2021-07-16 CN claimed
CN-103965381-B A kind of titanium tetrachloride initiator system altogether and the method being used for preparing high-activity polyisobutylene thereof 北京化工大学 2016-08-24 CN claimed
CN-103965381-A Titanium tetrachloride co-initiation system, and method for preparing high-reaction-activity polyisobutylene by using it UNIV BEIJING CHEMICAL 2014-08-06 CN claimed
CN-120058570-A Application of metal ion doped graphene oxide film catalytic material in catalyzing thioether oxidation reaction to synthesize sulfone 中国科学院理化技术研究所 2025-05-30 CN disclosed
CN-118970164-A Three-dimensional crosslinked gel polymer electrolyte and preparation method and application thereof 郑州比克电子有限责任公司 2024-11-15 CN disclosed
CN-112533934-B Polyoxometallate compounds exhibiting bright emissions and methods of making same 纳米2D材料有限公司 2024-07-19 CN disclosed
CN-113122058-A Preparation method of ink and quantum dot film TCL集团股份有限公司 2021-07-16 CN disclosed
CN-112533934-A Polyoxometallate compounds exhibiting bright emission and methods of making the same 纳米2D材料有限公司 2021-03-19 CN disclosed
CN-110256307-B Method for synthesizing sulfoxide compound 南京雷正医药科技有限公司 2021-01-29 CN disclosed
CN-103736238-B Fire extinguishing composition containing sulfur-containing organic compound 湖北及安盾消防科技有限公司 2020-10-13 CN disclosed
EP-2281817-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER Kowa Company, Ltd. (JP) 2011-02-09 EP disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 US disclosed
CN-101490064-A Novel glucokinase activators and methods of using same BRISTOL MYERS SQUIBB CO (US) 2009-07-22 CN disclosed
CN-101395496-A Use of bromine anions in an optical electrowetting device VARIOPTIC SA (FR) 2009-03-25 CN disclosed
US-6787651-B2 2-CARBOXY-SUBSTITUTED; TREATING OSTEOPENIA, OSTEOPOROSIS, CANCER, DIABETES AND ATHEROSCLEROSIS. SMITHKLINE BEECHAM CORPORATION 2004-09-07 US disclosed
EP-1341761-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-$g(g) BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-10 EP disclosed
US-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents SMITHKLINE BEECHAM CORPORATION 2003-05-08 US disclosed
WO-2002030895-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-η BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 WO 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 (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-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents PPARG, PPARA, PPARD ESR2 120/4885POLB 2212/4885ESR1 397/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR ESR2 614/4885POLB 1666/4885ESR1 1307/4885

“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.