SCHEMBL9998404

SCHEMBL9998404

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PTGS2 P35354 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
MAPK1 P28482 1/20 0.36
STAT3 P40763 1/20 0.36
AKR1C3 P42330 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
CYP2A6 P11509 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
SCHEMBL9998250 0.86 KDM4E (0.42) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL9997578 0.86 KMT2A (0.49) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL9998344 0.86 LMNA (0.49) LMNAMEN1KMT2AMAPTNPSR1
SCHEMBL9998226 0.86 CYP2C9 (0.43) SMN1; SMN2PTGS2CYP2C9AKR1C3
SCHEMBL9998202 0.85 MEN1 (0.47) SMN1; SMN2MEN1KMT2AMAPTAKR1C3
SCHEMBL9997488 0.84 AKR1C3 (0.41) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL9998161 0.83 CYP1A2 (0.41) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL9998162 0.82 THRB (0.40) LMNASMN1; SMN2KMT2AMAPTNPSR1
SCHEMBL9997664 0.82 LMNA (0.44) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL9998159 0.81 LMNA (0.41) LMNASMN1; SMN2MEN1KMT2AMAPT

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 3752/4885SMN1; SMN2 3151/4885MEN1 1032/4885

“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.