SCHEMBL426644

SCHEMBL426644

Cc1ccc(C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
MLYCD O95822 1/20 0.47
CA2 P00918 3/20 0.46
CA1 P00915 2/20 0.46
CA9 Q16790 2/20 0.46
CA5A P35218 1/20 0.46
ACHE P22303 5/20 0.44
TDP1 Q9NUW8 1/20 0.44
KIF11 P52732 3/20 0.36
CYP19A1 P11511 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CA7 P43166 1/20 0.35
MAPT P10636 1/20 0.35
BCHE P06276 1/20 0.34

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
SCHEMBL9598862 0.88 TSHR (0.55) TSHRMLYCDCA2CA1CA9
SCHEMBL9550971 0.83 TSHR (0.50) TSHRMLYCDCA2CA1CA9
SCHEMBL17943301 0.81 TSHR (0.48) TSHRMLYCDCA2CA1CA9
SCHEMBL12299037 0.81 TSHR (0.55) TSHRMLYCDCA2CA1CA9
SCHEMBL30144865 0.81 TSHR (0.48) TSHRMLYCDCA2CA1CA9
SCHEMBL5753370 0.81 TSHR (0.55) TSHRMLYCDCA2CA1CA9
SCHEMBL11217955 0.80 TSHR (0.42) TSHRMLYCDCA2CA1CA9
SCHEMBL2776477 0.80 MLYCD (0.50) TSHRMLYCDCA2CA1CA9
SCHEMBL17943229 0.79 TSHR (0.48) TSHRCA2CA1CA9CA5A
SCHEMBL11358160 0.78 TSHR (0.50) TSHRMLYCDCA2CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118119583-A Method for producing fluorine-containing aromatic compound 大金工业株式会社 2024-05-31 CN disclosed
WO-2024017977-A1 IMIDAZOPYRIDINE COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI (FR) 2024-01-25 WO disclosed
US-20220105462-A1 m-PHENYLENEDIAMINE COMPOUND, POLYMER AND METHOD FOR PRODUCING THE SAME, AND GAS SEPARATION MEMBRANE, GAS SEPARATION MODULE, AND GAS SEPARATION APPARATUS USING THE POLYMER FUJIFILM CORPORATION (JP) 2022-04-07 US disclosed
US-20210070713-A1 PESTICIDAL COMPOUNDS BASF SE (DE) 2021-03-11 US disclosed
WO-2021014821-A1 M-PHENYLENEDIAMINE COMPOUND, POLYMER AND METHOD FOR PRODUCING SAME, GAS SEPARATION MEMBRANE USING THIS POLYMER, GAS SEPARATION MODULE AND GAS SEPARATION APPARATUS 富士フイルム株式会社 2021-01-28 WO disclosed
WO-2020243423-A1 TEAD INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2020-12-03 WO disclosed
US-10720584-B2 Charge-transporting varnish, and organic electroluminescent element NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2020-07-21 US disclosed
EP-3404017-B1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL IND LTD (JP) 2020-05-13 EP disclosed
US-10336686-B2 Fluorine atom-containing compound and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-07-02 US disclosed
US-10301484-B2 Varnish for formation of charge-transporting thin film NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-05-28 US disclosed
US-20030027826-A1 (R)-Chiral halogenated substituted heteroaryl benzyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2003-02-06 US disclosed
US-20020177708-A1 (R)-chiral halogenated substituted N-benzyl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-28 US disclosed
EP-1115695-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(N+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP disclosed
WO-2000018724-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(n+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO disclosed
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed
EP-0418175-B1 Isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1996-07-17 EP disclosed
EP-0418175-A2 Isoxazoles herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1991-03-20 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 (6 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-10336686-B2 Fluorine atom-containing compound and use thereof ARF1, ARF5, ARFGAP1 TSHR 668/4885MLYCD 4283/4885CA2 2792/4885
US-20220105462-A1 m-PHENYLENEDIAMINE COMPOUND, POLYMER AND METHOD FOR PRODUCING THE SAME, AND GAS SEPARATION MEMBRANE, GAS SEPARATION MODULE, AND GAS SEPARATION APPARATUS USING THE POLYMER CPNE4, SCO2, PRMT9 TSHR 2040/4885MLYCD 63/4885CA2 912/4885
US-20030027826-A1 (R)-Chiral halogenated substituted heteroaryl benzyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP TSHR 2313/4885MLYCD 3471/4885CA2 3960/4885
US-20020177708-A1 (R)-chiral halogenated substituted N-benzyl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP TSHR 2273/4885MLYCD 3885/4885CA2 4534/4885
US-20210070713-A1 PESTICIDAL COMPOUNDS CAT, NIT2, PNMT TSHR 2952/4885MLYCD 1180/4885CA2 868/4885
US-10720584-B2 Charge-transporting varnish, and organic electroluminescent element SLCO4C1, SLCO2A1, SLCO1A2 TSHR 1557/4885MLYCD 3990/4885CA2 370/4885

“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.