SCHEMBL1834490

SCHEMBL1834490

Cc1c(C)c(N)c2ccccc2c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
ACHE P22303 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.38
PIK3CA P42336 1/20 0.38
HPGD P15428 4/20 0.37
HSD17B10 Q99714 4/20 0.37
CASP1 P29466 3/20 0.37
CASP7 P55210 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
GLA P06280 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
NQO2 P16083 1/20 0.37
MAOA P21397 1/20 0.37

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
Ammonia Solution, Strong SCHEMBL8197954 0.97 TSHR (0.40) TSHRKDM4EALDH1A1ACHECYP1A2
Bromide SCHEMBL11552674 0.97 TSHR (0.40) TSHRKDM4EALDH1A1ACHECYP1A2
Hydrochloric Acid SCHEMBL1508302 0.97 KDM4E (0.40) TSHRKDM4EALDH1A1ACHECYP1A2
SCHEMBL30148931 0.92 CYP1A2 (0.45) TSHRKDM4EALDH1A1ACHECYP1A2
SCHEMBL538480 0.92 CYP1A2 (0.45) TSHRKDM4EALDH1A1ACHECYP1A2
SCHEMBL31180772 0.90 ACHE (0.39) TSHRKDM4EALDH1A1ACHECYP1A2
SCHEMBL3679087 0.90 ACHE (0.39) TSHRKDM4EALDH1A1ACHECYP1A2
SCHEMBL3073449 0.86 CYP1A2 (0.41) TSHRKDM4EALDH1A1ACHECYP1A2
SCHEMBL18923214 0.86 CYP1A2 (0.41) TSHRKDM4EALDH1A1ACHECYP1A2
Hydrochloric Acid SCHEMBL4638285 0.84 RAB9A (0.41) TSHRKDM4EALDH1A1ACHECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION ASAHI KASEI KABUSHIKI KAISHA (JP) 2024-12-26 US disclosed
EP-4431490-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2024-09-18 EP disclosed
CN-118215651-A Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition 旭化成株式会社 2024-06-18 CN disclosed
US-11996557-B2 Direct regeneration of lithium ion cathodes by ionothermal relithiation UT-BATTELLE, LLC (US) 2024-05-28 US disclosed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
US-20220376240-A1 DIRECT REGENERATION OF LITHIUM ION CATHODES BY IONOTHERMAL RELITHIATION U. S. DEPARTMENT OF ENERGY 2022-11-24 US disclosed
EP-3838892-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2022-10-12 EP disclosed
US-11186893-B2 Rare earth amide compositions UT-BATTELLE, LLC (US) 2021-11-30 US disclosed
EP-3293173-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-07-28 EP disclosed
CN-109641835-B Method for producing carbamate 国立研究开发法人产业技术综合研究所 2021-07-20 CN disclosed
WO-2007027917-A2 LEWIS ACID CATALYZED HALOGENATION OF ACTIVATED CARBON ATOMS UNIVERSITY OF CHICAGO (US) 2007-03-08 WO disclosed
EP-0872903-B1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder SHINETSU CHEMICAL CO (JP) 2001-10-04 EP disclosed
US-6277519-B1 QUENCHING AN ALLOY MELT; COMMINUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed
US-4061682-A QUATERNARY AMMONIUM OR PHOSPHONIUM SALT THE DOW CHEMICAL COMPANY (US) 1977-12-06 US disclosed
US-3956252-A BASIC NITROGEN-CONTAINING SALT OF PHYTIC ACID SHOWA DENKU K.K. (JA) 1976-05-11 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 (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-20240425448-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUND, METHOD FOR PRODUCING CARBAMATE COMPOUND, METHOD FOR RECOVERING AMINE COMPOUND, AND ISOCYANATE COMPOSITION IDH3A, CA7, C9 TSHR 4594/4885KDM4E 371/4885ALDH1A1 630/4885

“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.