SCHEMBL9937822

SCHEMBL9937822

COCCOC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
MLYCD O95822 1/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CES2 O00748 1/20 0.31
ABCB11 O95342 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2B P18089 1/20 0.31
OPRD1 P41143 1/20 0.31
SCN5A Q14524 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30

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
Ammonia Solution, Strong SCHEMBL27732666 0.98 TSHR (0.39) TSHRMLYCDRECQLALDH1A1CES2
SCHEMBL17807212 0.94 ABCB11 (0.38) TSHRMLYCDRECQLALDH1A1CES2
SCHEMBL1589356 0.87 HTT (0.35) ALDH1A1CES2SMN1; SMN2HTT
SCHEMBL9937246 0.86 TSHR (0.39) TSHRMLYCDRECQLALDH1A1CES2
SCHEMBL9937736 0.84 TSHR (0.39) TSHRALDH1A1ABCB11CYP3A4ADRA2B
Ethylene SCHEMBL11404296 0.82 ALDH1A1 (0.32) TSHRALDH1A1CES2HTT
SCHEMBL15721320 0.81 POLB (0.42) RECQLALDH1A1CES2CYP3A4KMT2A
SCHEMBL18116406 0.81 ALDH1A1 (0.48) TSHRALDH1A1CES2SMN1; SMN2HTT
SCHEMBL24360967 0.80 TSHR (0.37) TSHRMLYCDALDH1A1HTTKMT2A
SCHEMBL24142184 0.80 TSHR (0.37) TSHRALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023020566-A1 BENZO NITROGEN-CONTAINING HETEROAROMATIC RING DERIVATIVE AND USE THEREOF IN MEDICINE 四川海思科制药有限公司 2023-02-23 WO disclosed
US-20170247265-A1 FILTER MEDIUM, METHOD FOR PRODUCING FILTER MEDIUM, WATER TREATMENT MODULE, AND WATER TREATMENT DEVICE MITSUBISHI MATERIALS CORPORATION (JP) 2017-08-31 US disclosed
US-20170210912-A1 HYDROPHILIC OIL REPELLENT AND PRODUCTION METHOD OF SAME, SURFACE COATING MATERIAL, COATING FILM, RESIN COMPOSITION, OIL-WATER SEPARATION FILTER MATERIAL, AND POROUS BODY MITSUBISHI MATERIALS ELECTRONIC CHEMICALS CO., LTD. (JP) 2017-07-27 US disclosed
US-20170210643-A1 OIL-WATER SEPARATION APPARATUS AND DRAINAGE SYSTEM MITSUBISHI MATERIALS CORPORATION (JP) 2017-07-27 US disclosed
US-9472813-B2 Battery electrolyte solution containing certain ester-based solvents, and batteries containing such an electrolyte solution DOW GLOBAL TECHNOLOGIES LLC (US) 2016-10-18 US disclosed
CN-103262329-B Battery electrolyte solution containing certain ester-based solvents and battery containing such electrolyte solution DOW GLOBAL TECHNOLOGIES LLC (US) 2016-02-10 CN disclosed
EP-2652832-A1 BATTERY ELECTROLYTE SOLUTION CONTAINING CERTAIN ESTER-BASED SOLVENTS, AND BATTERIES CONTAINING SUCH AN ELECTROLYTE SOLUTION Dow Global Technologies LLC (US) 2013-10-23 EP disclosed
US-20130260229-A1 BATTERY ELECTROLYTE SOLUTION CONTAINING CERTAIN ESTER-BASED SOLVENTS, AND BATTERIES CONTAINING SUCH AN ELECTROLYTE SOLUTION DOW GLOBAL TECHNOLOGIES LLC (US) 2013-10-03 US disclosed
CN-103262329-A Battery electrolyte solution containing certain ester-based solvents and battery containing such electrolyte solution DOW GLOBAL TECHNOLOGIES INC 2013-08-21 CN disclosed
WO-2012082760-A1 BATTERY ELECTROLYTE SOLUTION CONTAINING CERTAIN ESTER-BASED SOLVENTS, AND BATTERIES CONTAINING SUCH AN ELECTROLYTE SOLUTION DOW GLOBAL TECHNOLOGIES LLC (US) 2012-06-21 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 (2 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-20170210643-A1 OIL-WATER SEPARATION APPARATUS AND DRAINAGE SYSTEM AQP1, AQP3, AQP4 TSHR 1546/4885MLYCD 1706/4885RECQL 738/4885
US-20170210912-A1 HYDROPHILIC OIL REPELLENT AND PRODUCTION METHOD OF SAME, SURFACE COATING MATERIAL, COATING FILM, RESIN COMPOSITION, OIL-WATER SEPARATION FILTER MATERIAL, AND POROUS BODY FABP4, FFAR1, FFAR2 TSHR 1166/4885MLYCD 4707/4885RECQL 2763/4885

“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.