SCHEMBL9997509

SCHEMBL9997509

CC(=O)OC/C(=C\c1ccc(C)cc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.45
GPR183 P32249 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
PAM P19021 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL9997511 1.00 KMT2A (0.48) KMT2AALDH1A1GPR183L3MBTL1TDP1
SCHEMBL9997388 0.91 ALDH1A1 (0.50) KMT2AALDH1A1L3MBTL1CYP3A4CYP2C9
SCHEMBL9997387 0.91 ALDH1A1 (0.50) KMT2AALDH1A1L3MBTL1CYP3A4CYP2C9
SCHEMBL9998644 0.88 ALDH1A1 (0.44) KMT2AALDH1A1L3MBTL1CYP3A4CYP2C9
SCHEMBL9998195 0.88 L3MBTL1 (0.44) KMT2AALDH1A1GPR183L3MBTL1TDP1
SCHEMBL9997617 0.88 ALDH1A1 (0.44) KMT2AALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL9998193 0.88 L3MBTL1 (0.44) KMT2AALDH1A1GPR183L3MBTL1TDP1
SCHEMBL9997615 0.88 ALDH1A1 (0.44) KMT2AALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL9997518 0.88 ALDH1A1 (0.44) KMT2AALDH1A1GPR183L3MBTL1CYP3A4
SCHEMBL9997520 0.88 ALDH1A1 (0.44) KMT2AALDH1A1GPR183L3MBTL1CYP3A4

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 KMT2A 2324/4885ALDH1A1 160/4885GPR183 3200/4885

“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.