SCHEMBL9419248

SCHEMBL9419248

CCCCc1cccc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.41
RIPK1 Q13546 1/20 0.41
LIPG Q9Y5X9 1/20 0.40
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
TAAR1 Q96RJ0 3/20 0.39
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL7781643 0.94 LIPG (0.47) TYRRIPK1LIPGALOX5PTGS2
SCHEMBL8746449 0.92 LIPG (0.50) TYRLIPGALOX5PTGS2BID
SCHEMBL7533430 0.92 LIPG (0.50) TYRLIPGALOX5PTGS2BID
SCHEMBL8746425 0.92 LIPG (0.50) TYRLIPGALOX5PTGS2BID
SCHEMBL4819280 0.92 LIPG (0.50) TYRLIPGALOX5PTGS2BID
SCHEMBL10336047 0.92 LIPG (0.50) TYRLIPGALOX5PTGS2BID
SCHEMBL4286994 0.92 LIPG (0.50) TYRLIPGALOX5PTGS2BID
SCHEMBL4476574 0.87 RIPK1 (0.42) RIPK1TAAR1
SCHEMBL24136932 0.83 TAAR1 (0.41) RIPK1LIPGALOX5PTGS2TAAR1
SCHEMBL1073302 0.83 TAAR1 (0.58) TYRLIPGTAAR1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-06-30 US disclosed
US-10562884-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-02-18 US disclosed
WO-2019179928-A1 SUBSTITUTED SUCCINIMIDE-3-CARBOXAMIDES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2019-09-26 WO disclosed
US-9999619-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2018-06-19 US disclosed
US-20170246157-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2017-08-31 US disclosed
CN-102675040-B Poly-fluorinated quaterphenyl liquid crystal compound and preparation method and application thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO LTD 2015-02-04 CN disclosed
EP-0363458-B1 2,3-DIFLUOROBENZENES MERCK PATENT GMBH (DE) 1994-08-03 EP disclosed
US-5087764-A Deprotonation of a 1-substituted-2,3-difluorobenzene using an organometallic compound and reacting the reaction product with an electrophile Merck Patent Gesellschaft mit beschrankter Hafung (DE) 1992-02-11 US disclosed
EP-0363458-A1 2,3-DIFLUOROBENZENES. MERCK PATENT GMBH (DE) 1990-04-18 EP disclosed
WO-1989008629-A1 PROCESS FOR PREPARING 2,3-DIFLUOROBENZENES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 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 (3 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-10562884-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R TYR 49/4885RIPK1 4491/4885LIPG 2947/4885
US-20170246157-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 TYR 608/4885RIPK1 382/4885LIPG 3697/4885
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors JAK1, JAK2, JAK3 TYR 608/4885RIPK1 382/4885LIPG 3697/4885

“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.