SCHEMBL9997754

SCHEMBL9997754

CC(=O)OCC(=Cc1ccc(C(C)(C)C)cc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
ALDH1A1 P00352 4/20 0.44
RAB9A P51151 3/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
ESRRG P62508 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
F2 P00734 1/20 0.38
CYP1A2 P05177 1/20 0.37
PAM P19021 1/20 0.37

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
SCHEMBL9997752 1.00 LMNA (0.45) LMNAALDH1A1RAB9AKMT2AMEN1
SCHEMBL9997387 0.88 ALDH1A1 (0.50) LMNAALDH1A1RAB9AKMT2AMEN1
SCHEMBL9997388 0.88 ALDH1A1 (0.50) LMNAALDH1A1RAB9AKMT2AMEN1
SCHEMBL9998423 0.86 CYP26B1 (0.41) LMNAALDH1A1KMT2AMEN1CYP2C19
SCHEMBL9998428 0.86 CYP26B1 (0.41) LMNAALDH1A1KMT2AMEN1CYP2C19
SCHEMBL25161985 0.86 CYP1A2 (0.45) LMNAALDH1A1RAB9AKMT2AMEN1
SCHEMBL9997509 0.85 KMT2A (0.48) LMNAALDH1A1RAB9AKMT2AMEN1
SCHEMBL9997511 0.85 KMT2A (0.48) LMNAALDH1A1RAB9AKMT2AMEN1
SCHEMBL9998195 0.84 L3MBTL1 (0.44) LMNAALDH1A1KMT2AMEN1POLB
SCHEMBL9998193 0.84 L3MBTL1 (0.44) LMNAALDH1A1KMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8558012-B2 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative, production method thereof, and production method of monofluoromethyl group-containing compound using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2013-10-15 US disclosed
US-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2011-12-29 US 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-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME CBR1, CYP1B1, CYP2F1 LMNA 3752/4885ALDH1A1 160/4885RAB9A 2695/4885

“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.