SCHEMBL6932088

SCHEMBL6932088

CCCCOCCC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
CYP3A4 P08684 1/20 0.41
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
FAAH O00519 2/20 0.33
PLA2G2C Q5R387 1/20 0.33

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
SCHEMBL13106227 0.98 TSHR (0.46) TSHRCYP3A4CES2CES1MEN1
SCHEMBL13325107 0.95 CES1 (0.47) TSHRCYP3A4CES2CES1MEN1
SCHEMBL13303168 0.95 CES1 (0.47) TSHRCYP3A4CES2CES1MEN1
SCHEMBL6937293 0.93 CES2 (0.48) TSHRCYP3A4CES2CES1MEN1
SCHEMBL6934107 0.91 CES1 (0.52) TSHRCES2CES1MEN1THRB
SCHEMBL6936480 0.91 CES1 (0.52) TSHRCES2CES1MEN1THRB
SCHEMBL6936428 0.91 CES1 (0.52) TSHRCES2CES1MEN1THRB
SCHEMBL6939605 0.91 CES1 (0.52) TSHRCES2CES1MEN1THRB
SCHEMBL6937073 0.91 CES1 (0.52) TSHRCES2CES1MEN1THRB
SCHEMBL6936457 0.90 TSHR (0.48) TSHRCYP3A4CES2CES1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145810-A1 ELECTROLYTE SOLUTION, SECONDARY BATTERY COMPRISING SAME, AND ELECTRIC DEVICE 宁德时代新能源科技股份有限公司 2024-07-11 WO disclosed
US-20230242507-A1 INDAZOLE-FUSED CYCLIC COMPOUND Zhejiang Yangli Pharmaceutical Technology Co., Ltd. (CN) 2023-08-03 US disclosed
EP-0962445-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS INC (JP) 2003-02-26 EP disclosed
US-6217793-B1 Acetylene compound, liquid crystal composition and liquid crystal element MITSUI CHEMICALS, INC. (JP) 2001-04-17 US disclosed
EP-0962445-A1 Acetylene compound, liquid crystal composition and liquid crystal element Mitsui Chemicals, Inc. (JP) 1999-12-08 EP disclosed
EP-0518636-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-16 EP disclosed
EP-0517498-A1 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES LTD. (JP) 1992-12-09 EP disclosed
EP-0500210-A2 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-26 EP disclosed
EP-0409634-A2 Liquid crystal compounds and optically active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1991-01-23 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 (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-20230242507-A1 INDAZOLE-FUSED CYCLIC COMPOUND SLC5A11, CYP11B2, CYP4F11 TSHR 2490/4885CYP3A4 44/4885CES2 1957/4885

“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.