SCHEMBL10285184

SCHEMBL10285184

Cc1ccc(CF)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
NFE2L2 Q16236 2/20 0.38
P2RX7 Q99572 1/20 0.37
ACHE P22303 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 2/20 0.36
HSP90B1 P14625 3/20 0.35
TRAP1 Q12931 3/20 0.35
HSP90AA1 P07900 2/20 0.35
PKM P14618 1/20 0.35
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
KIF11 P52732 1/20 0.33
KDM4E B2RXH2 1/20 0.33
IDO1 P14902 1/20 0.33
AGXT P21549 1/20 0.33

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
SCHEMBL4429889 0.85 AKR1C3 (0.36) TAAR1
SCHEMBL18590775 0.83 TAAR1 (0.45) TAAR1NFE2L2P2RX7ACHECYP1A2
SCHEMBL13932536 0.83 AMY1A (0.42) TAAR1NFE2L2P2RX7ACHECYP1A2
SCHEMBL18354768 0.83 PTGS2 (0.36) TAAR1NFE2L2ACHECYP1A2
SCHEMBL10290674 0.81 TAAR1 (0.43) TAAR1NFE2L2ACHECYP1A2CYP2A6
SCHEMBL469174 0.81 P2RX7 (0.40) TAAR1NFE2L2P2RX7ACHECYP1A2
SCHEMBL17351838 0.79 IDO1 (0.41) TAAR1NFE2L2P2RX7ACHECYP1A2
SCHEMBL10889321 0.79 KMT2A (0.43) TAAR1NFE2L2P2RX7ACHECYP1A2
SCHEMBL22754160 0.79 TAAR1 (0.38) TAAR1NFE2L2P2RX7ACHECYP1A2
SCHEMBL3318682 0.79 TAAR1 (0.38) TAAR1NFE2L2P2RX7ACHECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9612445-B2 Lens element MERCK PATENT GMBH (DE) 2017-04-04 US disclosed
US-20150301344-A1 LENS ELEMENT MERCK PATENT GMBH (DE) 2015-10-22 US disclosed
US-9133219-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-15 US disclosed
US-9115127-B2 Benzimidazole and azabenzimidazole compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2015-08-25 US disclosed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 US disclosed
US-8927542-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
US-20140225035-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2014-08-14 US disclosed
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2014-08-07 US disclosed
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US disclosed
US-8524738-B2 Quinolinones and quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-03 US disclosed
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-08-22 US disclosed
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed
US-7914859-B2 Light modulation media, use in particular for electrooptic displays which are operated at a temperature at which the mesogenic modulation media are in an optically isotropic phase, preferably in a blue phase; reduced operating voltage, reduced temperature dependency of operating voltage, reliability MERCK PATENT GMBH (DE) 2011-03-29 US disclosed
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display MERCK PATENT GMBH (DE) 2008-05-22 US disclosed
EP-1900732-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2008-03-19 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-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH TAAR1 1292/4885NFE2L2 2127/4885P2RX7 1677/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 TAAR1 3928/4885NFE2L2 2838/4885P2RX7 4837/4885
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display CRY1, CRY2, IK TAAR1 239/4885NFE2L2 2055/4885P2RX7 1348/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH TAAR1 1292/4885NFE2L2 2127/4885P2RX7 1677/4885

“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.