SCHEMBL780254

SCHEMBL780254

CCCC(C)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CYP3A4 P08684 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
MC4R P32245 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ACHE P22303 1/20 0.34
CNR2 P34972 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
SCHEMBL9286802 0.88 TSHR (0.38) TSHRCYP3A4TAS1R3TAS1R1IDO1
SCHEMBL9229150 0.88 TSHR (0.38) TSHRCYP3A4TAS1R3TAS1R1IDO1
SCHEMBL24920008 0.85 CSNK1E (0.41) TSHRCYP3A4SMN1; SMN2MEN1ALDH1A1
SCHEMBL31380293 0.84 TSHR (0.48) TSHRCYP3A4SMN1; SMN2SLC6A2
SCHEMBL18891691 0.84 CES2 (0.39) TSHRCYP3A4TAS1R3TAS1R1SMN1; SMN2
SCHEMBL18487934 0.83 CYP3A4 (0.42) TSHRCYP3A4IDO1TDO2L3MBTL1
SCHEMBL21138699 0.83 TSHR (0.59) TSHRCYP3A4IDO1TDO2MC4R
SCHEMBL20807370 0.83 TSHR (0.59) TSHRCYP3A4IDO1TDO2MC4R
SCHEMBL778759 0.83 TSHR (0.59) TSHRCYP3A4IDO1TDO2MC4R
SCHEMBL17858417 0.82 CYP3A4 (0.38) TSHRCYP3A4IDO1TDO2MC4R

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
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
US-11744826-B2 Compounds and methods of treating retinal degeneration CASE WESTERN RESERVE UNIVERSITY (US) 2023-09-05 US disclosed
US-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2023-02-09 US disclosed
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-20220280488-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-PYRIDONE MODULATORS OF DCN1/2-MEDIATED CULLIN NEDDYLATION UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2022-09-08 US disclosed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
WO-2022073469-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2022-04-14 WO disclosed
US-20220087992-A1 COMPOUNDS AND METHODS OF TREATING RETINAL DEGENERATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-03-24 US disclosed
US-11283107-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-22 US disclosed
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-08-05 US disclosed
US-9006234-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-20150056503-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-26 US disclosed
US-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-04 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
CN-102097654-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2011-06-15 CN disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed
CN-101432923-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP (JP) 2009-05-13 CN disclosed
EP-2012386-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2009-01-07 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 (8 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-20220087992-A1 COMPOUNDS AND METHODS OF TREATING RETINAL DEGENERATION ALDH1A2, PDE6D, PDE6C TSHR 1887/4885CYP3A4 4775/4885TAS1R3 1515/4885
US-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C TSHR 961/4885CYP3A4 1191/4885TAS1R3 2069/4885
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R TSHR 102/4885CYP3A4 2798/4885TAS1R3 557/4885
US-20220280488-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-PYRIDONE MODULATORS OF DCN1/2-MEDIATED CULLIN NEDDYLATION CUL1, CUL2, NEDD8 TSHR 4854/4885CYP3A4 4493/4885TAS1R3 4750/4885
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C TSHR 961/4885CYP3A4 1191/4885TAS1R3 2069/4885
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R TSHR 102/4885CYP3A4 2798/4885TAS1R3 557/4885
US-11744826-B2 Compounds and methods of treating retinal degeneration ALDH1A2, PDE6D, PDE6C TSHR 1887/4885CYP3A4 4775/4885TAS1R3 1515/4885
US-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 TSHR 2430/4885CYP3A4 2747/4885TAS1R3 1262/4885

“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.