SCHEMBL1850720

SCHEMBL1850720

Cc1[c][nH]c2cccc(C)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.41
KIF11 P52732 1/20 0.35
MAPK1 P28482 1/20 0.35
MAP2K4 P45985 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
MAPK6 Q16659 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32
HTR2A P28223 1/20 0.32
GABRP O00591 1/20 0.32

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
SCHEMBL4694663 0.79 GAA (0.39) GPR84ALDH1A1PARP1
SCHEMBL2073636 0.79 FFAR1 (0.39) GPR84MEN1MAPTKMT2AACHE
SCHEMBL2074196 0.79 IMPDH2 (0.41) MEN1MAPTKMT2AALDH1A1TSHR
SCHEMBL3381547 0.79 GPR84 (0.39) GPR84KIF11MAPK1MAP2K4MAPKAPK2
SCHEMBL2072979 0.76 ABCG2 (0.42) MEN1MAPTKMT2ACA1CA2
SCHEMBL2073808 0.76 GABRA1 (0.38) GPR84MEN1MAPTKMT2AALDH1A1
SCHEMBL2070937 0.76 KIF11 (0.40) KIF11CA2ALDH1A1TSHRGABRA1
SCHEMBL2202477 0.75 GPR84 (0.36) GPR84KIF11MAPK1MAP2K4MAPKAPK2
SCHEMBL15796682 0.72 GPR84 (0.34) GPR84CYP1A2HTR2A
SCHEMBL2072643 0.72 TDP1 (0.44) GPR84MAPK1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 US claimed
EP-3294728-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP claimed
WO-2016180537-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO claimed
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them MERCK PATENT GMBH (DE) 2003-09-11 US claimed
US-6559185-B2 Nitromethyl ketone compounds having aldose reduction inhibiting properties and methods for their use MERCK PATENT GMBH (DE) 2003-05-06 US claimed
US-20030069312-A1 Antidiabetic agents LARDY CLAUDE (FR) 2003-04-10 US claimed
EP-0983226-A1 NEW NITROMETHYL KETONES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM MERCK PATENT GmbH (DE) 2000-03-08 EP claimed
EP-0741145-B1 Olefin polymerization catalyst and process for producing polyolefin using the same SUMITOMO CHEMICAL CO (JP) 1999-12-29 EP claimed
WO-1998052906-A1 NEW NITROMETHYL KETONES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 1998-11-26 WO claimed
US-4144340-A ADRENERGIC BLOCKING AGENTS DEUTSCHE GOLD UND SILBER- SCHEIDEANSTALT VORMALS ROESSLER (DE) 1979-03-13 US claimed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
CN-109548404-B Propylene-alpha olefin copolymer and process for producing the same 埃克森美孚化学专利公司 2022-02-08 CN disclosed
US-11192961-B2 Production of heterophasic polymers in gas or slurry phase EXXONMOBIL CHEMICAL PATENTS INC. (US) 2021-12-07 US disclosed
EP-3885373-A1 PRODUCTION OF HETEROPHASIC POLYMERS IN GAS OR SLURRY PHASE ExxonMobil Chemical Patents Inc. (US) 2021-09-29 EP disclosed
CN-107922537-B Preparation of multiphase polymers in gas or slurry phase 埃克森美孚化学专利公司 2021-07-27 CN disclosed
EP-0280951-A1 Amino-propanol derivatives, process for their preparation and medicines containing these compounds, as well as intermediates Roche Diagnostics GmbH (DE) 1988-09-07 EP disclosed
EP-0200915-A1 Aminopropanol derivatives, process for their preparation, their use and medicines containing them Roche Diagnostics GmbH (DE) 1986-11-12 EP disclosed
EP-0004532-B1 1-ARYLOXY-3-NITRATOALKYLAMINO-2-PROPANOLS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS MERCK PATENT GmbH (DE) 1981-10-14 EP disclosed
US-4288452-A 1-Aryloxy-3-nitratoalkylamino-2-propanols and use as β-receptor blocker MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-09-08 US disclosed
EP-0004532-A1 1-Aryloxy-3-nitratoalkylamino-2-propanols, process for their preparation and pharmaceutical compositions MERCK PATENT GmbH (DE) 1979-10-17 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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 GPR84 3793/4885KIF11 2014/4885MAPK1 1468/4885
US-20030069312-A1 Antidiabetic agents SLC5A1, SLC5A2, GPR119 GPR84 2070/4885KIF11 4239/4885MAPK1 1514/4885
US-20180118718-A1 Substituted Quinoxaline Derivatives BRCA1, NQO2, NQO1 GPR84 3748/4885KIF11 4038/4885MAPK1 906/4885
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them AKR1B1, AKR1A1, AKR1C1 GPR84 3505/4885KIF11 2471/4885MAPK1 1107/4885

“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.