SCHEMBL1781341

SCHEMBL1781341

O=C(c1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.77
CES2 O00748 1/20 0.61
CES1 P23141 1/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
ALDH1A1 P00352 2/20 0.61
EPHX2 P34913 2/20 0.59
CYP1A1 P04798 1/20 0.56
MAOB P27338 1/20 0.56
CYP1B1 Q16678 1/20 0.56
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56
LDHA P00338 1/20 0.55
LDHB P07195 1/20 0.55
TSHR P16473 1/20 0.54
POLB P06746 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
P2RX1 P51575 1/20 0.53
HSD11B1 P28845 1/20 0.53

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
SCHEMBL13410642 0.94 SRD5A2 (0.69) SRD5A2CES2CES1NPC1RAB9A
SCHEMBL13019489 0.94 SRD5A2 (0.69) SRD5A2CES2CES1NPC1RAB9A
SCHEMBL648641 0.91 SRD5A2 (0.83) SRD5A2CES2CES1NPC1RAB9A
Hydrochloric Acid SCHEMBL27733522 0.89 SRD5A2 (0.79) SRD5A2CES2CES1NPC1RAB9A
SCHEMBL2766437 0.87 SRD5A2 (1.00) SRD5A2CES2CES1EPHX2TSHR
SCHEMBL2834217 0.87 CES2 (0.83) SRD5A2CES2CES1NPC1RAB9A
Nitrobenzene SCHEMBL9165917 0.85 POLB (0.59) SRD5A2CES2CES1NPC1RAB9A
SCHEMBL13410662 0.84 SRD5A2 (0.73) SRD5A2CES2CES1NPC1RAB9A
SCHEMBL28000964 0.84 SRD5A2 (0.73) SRD5A2CES2CES1NPC1RAB9A
SCHEMBL2941622 0.84 SRD5A2 (0.81) SRD5A2CES2CES1ALDH1A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110128233-B Preparation method of deuterated alcohol compound 南京工业大学 2021-02-02 CN claimed
CN-110128233-A Preparation method of deuterated alcohol or amine compound 南京工业大学 2019-08-16 CN claimed
US-20090197167-A1 Fluorinated Additives For Lithium Ion Batteries SOLVAY FLUOR GMBH (DE) 2009-08-06 US claimed
CN-101283466-A Fluorinated additives for lithium ion batteries SOLVAY FLUOR GMBH (DE) 2008-10-08 CN claimed
EP-1938404-A1 FLUORINATED ADDITIVES FOR LITHIUM ION BATTERIES Solvay Fluor GmbH (DE) 2008-07-02 EP claimed
WO-2007042471-A1 FLUORINATED ADDITIVES FOR LITHIUM ION BATTERIES SOLVAY FLUOR GMBH (DE) 2007-04-19 WO claimed
EP-0362649-B1 Radiation-sensitive compositions and their use BASF AG (DE) 1994-03-02 EP claimed
US-5284734-A Insulating layers and printed circuits; precursors for polyimides and polyquinazolines BASF AKTIENGESELLSCHAFT (DE) 1994-02-08 US claimed
EP-0362644-B1 RADIATION-SENSITIVE COMPOSITIONS AND THEIR USE BASF Aktiengesellschaft (DE) 1993-05-26 EP claimed
US-5087550-A Polymer procursor and aryl-containing carbonyl compounds BASF AKTIENGESELLSCHAFT (DE) 1992-02-11 US claimed
EP-0362649-A2 Radiation-sensitive compositions and their use BASF Aktiengesellschaft (DE) 1990-04-11 EP claimed
EP-0362644-A1 Radiation-sensitive compositions and their use BASF Aktiengesellschaft (DE) 1990-04-11 EP claimed
US-20250270201-A1 SUBSTITUTED PYRIMIDINYL HYDRAZIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF ARIGENX THERAPEUTICS CO., LTD. (CN) 2025-08-28 US disclosed
US-20250146144-A1 Decarboxylation Coupling Electrocatalysis Method for Catalyzing Aromatic Trimethyl Ammonium Salt and A-Nickel Ketonate CHANGZHOU INSTITUTE OF TECHNOLOGY (CN) 2025-05-08 US disclosed
US-12281400-B1 Decarboxylation coupling electrocatalysis method for catalyzing aromatic trimethyl ammonium salt and α-nickel ketonate CHANGZHOU INSTITUTE OF TECHNOLOGY (CN) 2025-04-22 US disclosed
WO-2025059098-A2 PHOTOCATALYTIC CARBOXYLATION OF SUBSTRATES WITH CARBON OXIDE NEW IRIDIUM INC. (US) 2025-03-20 WO disclosed
US-4046577-A PHOTOREACTIVE COMPOSITIONS COMPRISING POLYMERS CONTAINING ALKOXYAROMATIC GLYOXY GROUPS THE RICHARDSON COMPANY (US) 1977-09-06 US disclosed
US-4037112-A Apparatus for crosslinking ultraviolet light curable coatings PPG INDUSTRIES, INC. (US) 1977-07-19 US disclosed
US-4024296-A Photocatalyst system and pigmented actinic light polymerizable coating compositions containing the same PPG INDUSTRIES, INC. (US) 1977-05-17 US disclosed
US-4017652-A Photocatalyst system and ultraviolet light curable coating compositions containing the same PPG INDUSTRIES, INC. (US) 1977-04-12 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-20250270201-A1 SUBSTITUTED PYRIMIDINYL HYDRAZIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF AHR, ARNT, PAH SRD5A2 447/4885CES2 4679/4885CES1 3223/4885

“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.