SCHEMBL296948

SCHEMBL296948

[Li]C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.47
ALDH1A1 P00352 4/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ALOX15 P16050 1/20 0.38
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
PTPN1 P18031 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL3887243 0.97 KCNN4 (0.45) KCNN4ALDH1A1TSHRMAPK1CYP1A2
Bromide SCHEMBL10962749 0.94 KCNN4 (0.43) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL8982011 0.79 KCNN4 (0.47) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL19457729 0.73 KCNN4 (0.43) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL17844155 0.73 MAPK1 (0.50) KCNN4ALDH1A1TSHRMAPK1TAAR1
SCHEMBL3082162 0.73 MAPK1 (0.50) KCNN4ALDH1A1TSHRMAPK1TAAR1
SCHEMBL50795 0.71 KCNN4 (0.41) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL230628 0.69 KCNN4 (0.53) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL8178 0.69 KCNN4 (0.53) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL1820058 0.69 KCNN4 (0.39) KCNN4ALDH1A1TSHRMAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12338326-B2 Polyamides with pendent optical absorbers and related methods XEROX CORPORATION (US) 2025-06-24 US claimed
CN-119490543-A Preparation method of bridged metallocene compound, bridged metallocene compound obtained by preparation method and application of bridged metallocene compound 中国石油化工股份有限公司 2025-02-21 CN claimed
CN-118994506-A Styrene-butadiene polymer and preparation method thereof, toughening agent composition and ABS resin 中国石油化工股份有限公司 2024-11-22 CN claimed
CN-113461857-B Low cis-polybutadiene rubber and preparation method thereof, HIPS and preparation method thereof 中国石油化工股份有限公司 2024-11-19 CN claimed
CN-112457487-B Polyamide with overhanging optical absorbers and related methods 施乐公司 2024-10-01 CN claimed
US-12065395-B2 Processes for the preparation of deuterated D-serine SUN PHARMACEUTICAL INDUSTRIES, INC. (US) 2024-08-20 US claimed
CN-113461858-B Low cis-polybutadiene rubber and preparation method thereof, HIPS and preparation method thereof 中国石油化工股份有限公司 2024-07-02 CN claimed
US-20230374218-A1 POLYAMIDES WITH PENDENT OPTICAL ABSORBERS AND RELATED METHODS XEROX CORPORATION (US) 2023-11-23 US claimed
US-11753505-B2 Polyamides with pendent optical absorbers and related methods XEROX CORPORATION (US) 2023-09-12 US claimed
CN-113461858-A Low cis-polybutadiene rubber and preparation method thereof, and HIPS and preparation method thereof 中国石油化工股份有限公司 2021-10-01 CN claimed
US-5518528-A ABSORPTION AND DESORPTION OF BORON TRIFLUORIDE OR SIMILAR COMPOUNDS AND SEMICONDUCTORS ADVANCED TECHNOLOGY MATERIALS, INC. (US) 1996-05-21 US claimed
WO-1996011739-A1 STORAGE AND DELIVERY SYSTEM FOR GASEOUS COMPOUNDS ADVANCED TECHNOLOGY MATERIALS, INC. (US) 1996-04-25 WO claimed
WO-1995024404-A1 PREPARATION OF SYMMETRICAL AND UNSYMMETRICAL DITHIIN COMPOUNDS SHAMAN PHARMACEUTICALS, INC. (US) 1995-09-14 WO claimed
EP-0511001-A2 Ring-closure method for 1-carbacephalosporin six-membered ring ELI LILLY AND COMPANY (US) 1992-10-28 EP claimed
US-5089610-A Reacting with a strong base, anhydrous conditions, inert solvent, dehydrating ELI LILLY AND COMPANY (US) 1992-02-18 US claimed
US-4525309-A Lewis acid catalysis of the homologation of boronic esters with haloalkylmetal reagents WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1985-06-25 US claimed
US-4307232-A Preparation of dialkyl- and diarylphosphonoalkanoic acids and substituted acrylic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-12-22 US claimed
US-4012431-A Process for preparing 5-oxa PGF1.sub.α -type compounds THE UPJOHN COMPANY (US) 1977-03-15 US claimed
US-3968109-A ANTIBIOTIC E. R. SQUIBB & SONS, INC. (US) 1976-07-06 US claimed
US-3941779-A Method for producing 2-(substituted thio)-3-cephem derivatives E. R. SQUIBB & SONS, INC. (US) 1976-03-02 US claimed

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-12065395-B2 Processes for the preparation of deuterated D-serine PSPH, SRR, DHPS KCNN4 4813/4885ALDH1A1 3327/4885TSHR 3758/4885

“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.