SCHEMBL9850855

SCHEMBL9850855

CCCCCCc1ccc(I)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.63
ADRA2A P08913 2/20 0.63
ADORA3 P0DMS8 2/20 0.63
TACR2 P21452 2/20 0.63
SLC6A2 P23975 2/20 0.63
SLC6A4 P31645 2/20 0.63
SLC6A3 Q01959 2/20 0.63
ALDH1A1 P00352 2/20 0.63
HSD17B10 Q99714 2/20 0.63
KDM4E B2RXH2 1/20 0.63
LMNA P02545 1/20 0.63
SHBG P04278 1/20 0.63
TP53 P04637 1/20 0.63
CYP3A4 P08684 1/20 0.63
HSPD1 P10809 1/20 0.63
ADRB3 P13945 1/20 0.63
HTR2C P28335 1/20 0.63
HSPE1 P61604 1/20 0.63
HIF1A Q16665 1/20 0.63
TST Q16762 1/20 0.63

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
SCHEMBL27627903 1.00 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL10587047 1.00 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL29162246 1.00 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL27994729 1.00 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9850692 1.00 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL282601 1.00 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL29162255 1.00 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL7466292 1.00 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL14193847 1.00 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL177157 1.00 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240284795-A1 LIGHT EMITTING ELEMENT AND FUSED POLYCYCLIC COMPOUND FOR THE LIGHT EMITTING ELEMENT SAMSUNG DISPLAY CO., LTD. (KR) 2024-08-22 US disclosed
CN-118359648-A Light-emitting element and condensed polycyclic compound for light-emitting element 三星显示有限公司 2024-07-19 CN disclosed
US-11858952-B2 Compound and color conversion film comprising same LG CHEM, LTD. (KR) 2024-01-02 US disclosed
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 US disclosed
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-05-11 US disclosed
US-20210347790-A1 COMPOUND AND COLOR CONVERSION FILM COMPRISING SAME LG CHEM, LTD. (KR) 2021-11-11 US disclosed
CN-107930695-B Metal palladium complex polymer catalyst and carbon-carbon coupling reaction method using same 华东理工大学 2020-09-08 CN disclosed
US-20160109803-A1 PATTERNING PROCESS AND CHEMICALLY AMPLIFIED NEGATIVE RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-04-21 US disclosed
US-9312501-B2 Semiconducting compounds and optoelectronic devices incorporating same POLYERA CORPORATION (US) 2016-04-12 US disclosed
CN-102557896-B (Poly) fluorine substituted phenyl diacetylene (bi) phenyl derivative, and preparation method and application thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO LTD 2015-03-11 CN disclosed
CN-102574868-B Substituted benzochalcogenoacene compound, thin film comprising the compound, and organic semiconductor device including the thin film SUMITOMO CHEMICAL CO 2015-01-14 CN disclosed
WO-2013090041-A1 SOLUTE-ENHANCED PRODUCTION OF GAMMA-VALEROLACTONE (GVL) FROM AQUEOUS SOLUTIONS LEVULINIC ACID WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-06-20 WO disclosed
WO-2012115369-A2 TRIPHENYLENE-BASED REACTIVE MESOGEN CONTAINING ACETYLENE 한국화학연구원 (KR) 2012-08-30 WO disclosed
CN-101558110-B Thermally stable cationic photocurable compositions CIBA HOLDING INC 2012-06-13 CN disclosed
CN-102117013-A Photoresist composition SUMITOMO CHEMICAL CO 2011-07-06 CN disclosed
CN-101684166-A Resin and chemically amplified resist composition comprising the same SUMITOMO CHEMICAL CO 2010-03-31 CN disclosed
CN-101558110-A Thermally stable cationic photocurable compositions CIBA HOLDING INC (CH) 2009-10-14 CN disclosed
CN-1102623-C Curing process for cationically photocurable formulation CIBA SC HOLDING AG (CH) 2003-03-05 CN disclosed
CN-1225109-A Curing process for cationically photocurable formulation CIBA SC HOLDING AG (CH) 1999-08-04 CN disclosed
EP-0409634-A2 Liquid crystal compounds and optically active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1991-01-23 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 (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-11802135-B2 Lysophosphatidic acid derivative LPAR4, LPAR2, LPAR1 ESR1 2409/4885ADRA2A 400/4885ADORA3 480/4885
US-20210347790-A1 COMPOUND AND COLOR CONVERSION FILM COMPRISING SAME BLVRB, CDYL, CRY1 ESR1 515/4885ADRA2A 3803/4885ADORA3 4544/4885
US-11858952-B2 Compound and color conversion film comprising same BLVRB, CDYL, CRY1 ESR1 515/4885ADRA2A 3803/4885ADORA3 4544/4885
US-20230146210-A1 NOVEL LYSOPHOSPHATIDIC ACID DERIVATIVE LPAR4, LPAR2, LPAR1 ESR1 2619/4885ADRA2A 393/4885ADORA3 446/4885

“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.