SCHEMBL4598751

SCHEMBL4598751

C=Cc1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NR1H3 Q13133 5/20 0.42
NR1H2 P55055 4/20 0.42
RORC P51449 3/20 0.41
RORA P35398 1/20 0.41
TSHR P16473 2/20 0.38
AR P10275 1/20 0.38
NFE2L2 Q16236 1/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.37
FBP1 P09467 1/20 0.36
PGR P06401 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
SCHEMBL5662892 0.82 TP53 (0.40) TP53TDP1TSHRNFE2L2MEN1
SCHEMBL15496928 0.82 TP53 (0.44) TP53TDP1TSHRNFE2L2ALDH1A1
SCHEMBL14749148 0.82 PTPN1 (0.42) NR1H3NR1H2ALDH1A1
SCHEMBL29446987 0.80 NFE2L2 (0.55) TP53TDP1TSHRNFE2L2MEN1
SCHEMBL28401441 0.80 TP53 (0.48) TP53TDP1TSHRNFE2L2MEN1
SCHEMBL847900 0.80 NR1H2 (0.43) NR1H3NR1H2RORCRORATSHR
SCHEMBL216268 0.80 NFE2L2 (0.55) TP53TDP1TSHRNFE2L2MEN1
SCHEMBL832913 0.80 NR1H3 (0.47) NR1H3NR1H2RORCRORATSHR
Methane SCHEMBL11607237 0.79 NFE2L2 (0.53) TP53TDP1TSHRNFE2L2MEN1
SCHEMBL16943649 0.77 TP53 (0.50) TP53TDP1TSHRNFE2L2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US claimed
US-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists PHARMACIA & UPJOHN S.P.A. (IT) 2003-04-10 US claimed
US-12036025-B2 Bio-electrode, method for manufacturing bio-electrode, and method for measuring biological signal SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-07-16 US disclosed
US-12036025-B2 Bio-electrode, method for manufacturing bio-electrode, and method for measuring biological signal SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-07-16 US disclosed
US-20240215890-A1 Bio-Electrode, Bio-Electrode Composition, And Method For Manufacturing Bio-Electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-07-04 US disclosed
US-20240215890-A1 Bio-Electrode, Bio-Electrode Composition, And Method For Manufacturing Bio-Electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-07-04 US disclosed
US-20240215891-A1 Bio-Electrode Composition, Bio-Electrode, And Method For Manufacturing Bio-Electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-07-04 US disclosed
US-20240215891-A1 Bio-Electrode Composition, Bio-Electrode, And Method For Manufacturing Bio-Electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-07-04 US disclosed
EP-4309582-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-24 EP disclosed
EP-4306558-A1 BIOELECTRODE, PRODUCTION METHOD FOR BIOELECTRODE, AND MEASUREMENT METHOD FOR BIOSIGNALS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-17 EP disclosed
US-11786160-B2 Bio-electrode composition, bio-electrode, and method for manufacturing bio-electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-10-17 US disclosed
US-20020160297-A1 Low abosorbing resists for 157 nm lithography AIR FORCE, UNITED STATES 2002-10-31 US disclosed
WO-2002069043-A2 LOW ABSORBING RESISTS FOR 157 NM LITHOGRAPHY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2002-09-06 WO disclosed
US-6358665-B1 ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE CLARIANT INTERNATIONAL LTD. (CH) 2002-03-19 US disclosed
EP-1087260-A1 PHOTOSENSITIVE RESIN COMPOSITION CLARIANT INTERNATIONAL LTD. (CH) 2001-03-28 EP disclosed
EP-1033624-A1 RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE Clariant International Ltd. (CH) 2000-09-06 EP disclosed
EP-0681713-B1 SULPHONIC ACID ESTERS, RADIATION-SENSITIVE MIXTURES MADE THEREWITH, AND THEIR USE CLARIANT GMBH (DE) 1998-11-18 EP disclosed
US-5716756-A POSITIVE OR NEGATIVE WORKING MIXTURES HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-10 US disclosed
EP-0681713-A1 SULPHONIC ACID ESTERS, RADIATION-SENSITIVE MIXTURES MADE THEREWITH, AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-15 EP disclosed
WO-1994018606-A1 SULPHONIC ACID ESTERS, RADIATION-SENSITIVE MIXTURES MADE THEREWITH, AND THEIR USE HOESCHT AKTIENGESELLSCHAFT (DE) 1994-08-18 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 (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-20030069236-A1 New benzoxazine derivatives useful as integrin receptor antagonists ITGB1, ITGA1, ITGB3 TP53 4359/4885TDP1 3668/4885NR1H3 1401/4885

“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.