SCHEMBL4358306

SCHEMBL4358306

CC1=Nc2cc(CO)ccc2C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
CNR2 P34972 5/20 0.33
CNR1 P21554 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAOA P21397 1/20 0.31
DYRK1A Q13627 1/20 0.31
RECQL P46063 1/20 0.31
PDK2 Q15119 1/20 0.30

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
SCHEMBL10111633 0.76 TDP1 (0.41) MEN1KMT2ACASP3RAB9AATM
SCHEMBL2006092 0.73 KDM4E (0.38) MEN1KMT2ACASP3RAB9AATM
SCHEMBL10031420 0.73 MEN1 (0.35) MEN1KMT2ACASP3RAB9AATM
SCHEMBL13619889 0.72 ALDH1A1 (0.36)
SCHEMBL14428150 0.70 HSD17B10 (0.33) HSD17B10CNR2CNR1RECQLPDK2
SCHEMBL10126936 0.70 EHMT2 (0.42) MEN1KMT2ARAB9A
SCHEMBL101153 0.67 CASP3 (0.47) MEN1KMT2ACASP3RAB9AATM
Bromide SCHEMBL28640491 0.66 CASP3 (0.46) MEN1KMT2ACASP3RAB9AATM
SCHEMBL12934280 0.66 PDK2 (0.50) HSD17B10CNR2CNR1RECQLPDK2
Bromide SCHEMBL28631392 0.66 CASP3 (0.46) MEN1KMT2ACASP3RAB9AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090280060-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION 2009-11-12 US disclosed
US-20090280060-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION 2009-11-12 US disclosed
US-20090280060-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION 2009-11-12 US disclosed
US-20070195309-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-08-23 US disclosed
US-20070195309-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-08-23 US disclosed
US-20070195309-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-08-23 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 (2 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-20070195309-A1 PHOTOCHROMIC PROBES ORAI1, TRPC1, STIM1 HSD17B10 4078/4885CNR2 138/4885CNR1 68/4885
US-20090280060-A1 PHOTOCHROMIC PROBES ORAI1, TRPC1, STIM1 HSD17B10 4078/4885CNR2 138/4885CNR1 68/4885

“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.