SCHEMBL975025

SCHEMBL975025

Cc1nc2ncnn2c(NCC(F)(F)F)c1-c1c(F)cc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 2/20 0.44
TSHR P16473 4/20 0.43
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 3/20 0.39
ENPP1 P22413 2/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
NPC1 O15118 1/20 0.36
GALR3 O60755 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL8385664 0.87 ENPP1 (0.51) TSHRMAPK1ALDH1A1ENPP1HTT
SCHEMBL976979 0.86 MBOAT4 (0.35) MBOAT4TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL5593451 0.83 MBOAT4 (0.42) MBOAT4TSHRMAPK1ALDH1A1ENPP1
SCHEMBL8389504 0.81 MBOAT4 (0.43) MBOAT4TSHRALDH1A1ENPP1HTT
SCHEMBL974956 0.81 MAPK1 (0.41) TSHRMAPK1HTTSMN1; SMN2KMT2A
SCHEMBL31020461 0.80 MBOAT4 (0.36) MBOAT4TSHRMAPK1ALDH1A1ENPP1
SCHEMBL5593091 0.80 CYP1A2 (0.43) MBOAT4TSHRALDH1A1ENPP1HTT
SCHEMBL975027 0.80 MAPK1 (0.44) TSHRMAPK1ALDH1A1ENPP1HTT
SCHEMBL976584 0.78 MAPK1 (0.41) TSHRMAPK1ENPP1HTTSMN1; SMN2
SCHEMBL7131083 0.78 MBOAT4 (0.54) MBOAT4TSHRMAPK1ALDH1A1ENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4653442-A1 POLYCYCLIC COMPOUND FOR TREATING NEUROLOGICAL DISEASES AND TUMORS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2025-11-26 EP disclosed
WO-2024153202-A1 POLYCYCLIC COMPOUND FOR TREATING NEUROLOGICAL DISEASES AND TUMORS 中国科学院上海有机化学研究所 2024-07-25 WO disclosed
US-8974806-B2 Method for producing aqueous active substance compositions of active substances that are hardly soluble in water BASF AKTIENGESELLSCHAFT (DE) 2015-03-10 US disclosed
US-8741324-B2 Liquid pesticide compositions BASF SE (DE) 2014-06-03 US disclosed
US-8728504-B2 Process for solubilizing hydrophobic active ingredients in aqueous medium BASF SE (DE) 2014-05-20 US disclosed
EP-2676680-A1 Use of hydrophobin polypeptides as penetration enhancers BASF SE (DE) 2013-12-25 EP disclosed
US-8497230-B2 Solid crop protection agents containing polyalkoxylate, method for their production and use thereof BASF AKTIENGESELLSCHAFT (DE) 2013-07-30 US disclosed
US-20130123108-A1 ACTIVE SUBSTANCE COMPOSITION COMPRISING AT LEAST ONE NITROGEN ATOM-CONTAINING, HYPERBRANCHED POLYMER BASF SE (DE) 2013-05-16 US disclosed
EP-1763300-B1 USE OF ETHER GROUP-CONTAINING POLYMERS AS SOLUBILIZERS BASF SE (DE) 2013-05-15 EP disclosed
US-20110312497-A1 USE OF HYDROPHOBIN AS A SPREADING AGENT BASF SE (DE) 2011-12-22 US disclosed
EP-1889028-A1 METHOD FOR DETERMINING PESTICIDE RESIDUES IN SOIL OR PLANT MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2008-02-20 EP disclosed
EP-1776010-B1 METHOD FOR PRODUCING AQUEOUS ACTIVE SUBSTANCE COMPOSITIONS OF ACTIVE SUBSTANCES THAT ARE HARDLY SOLUBLE IN WATER BASF AG (DE) 2007-12-26 EP disclosed
EP-1756188-B1 AMPHIPHILIC POLYMER COMPOSITIONS AND THEIR USE BASF AG (DE) 2007-12-05 EP disclosed
US-20070184983-A1 Liquid pesticide compositions BASF SE (DE) 2007-08-09 US disclosed
EP-1776010-A2 METHOD FOR PRODUCING AQUEOUS ACTIVE SUBSTANCE COMPOSITIONS OF ACTIVE SUBSTANCES THAT ARE HARDLY SOLUBLE IN WATER BASF AKTIENGESELLSCHAFT (DE) 2007-04-25 EP disclosed
EP-1773121-A1 LIQUID PESTICIDE COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 2007-04-18 EP disclosed
WO-2006125647-A1 METHOD FOR DETERMINING RESIDUES IN PLASTICS BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 WO disclosed
WO-2006125644-A1 METHOD FOR DETERMINING PESTICIDE RESIDUES IN SOIL OR PLANT MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 WO disclosed
WO-2006015791-A2 METHOD FOR PRODUCING AQUEOUS ACTIVE SUBSTANCE COMPOSITIONS OF ACTIVE SUBSTANCES THAT ARE HARDLY SOLUBLE IN WATER BASF AKTIENGESELLSCHAFT (DE) 2006-02-16 WO disclosed
WO-2006002984-A1 LIQUID PESTICIDE COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 2006-01-12 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-20110312497-A1 USE OF HYDROPHOBIN AS A SPREADING AGENT PFN1, DSTN, CHN2 MBOAT4 3857/4885TSHR 4646/4885MAPK1 3589/4885
US-20130123108-A1 ACTIVE SUBSTANCE COMPOSITION COMPRISING AT LEAST ONE NITROGEN ATOM-CONTAINING, HYPERBRANCHED POLYMER NOS1, NOS3, NPSR1 MBOAT4 1553/4885TSHR 3493/4885MAPK1 2382/4885
US-20070184983-A1 Liquid pesticide compositions CBR3, BBC3, DDT MBOAT4 2136/4885TSHR 992/4885MAPK1 2845/4885

“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.