SCHEMBL17682001

SCHEMBL17682001

C=C(CCCCCC)c1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.47
CNR1 P21554 2/20 0.46
HDAC1 Q13547 3/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC2 Q92769 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MGLL Q99685 5/20 0.44
STS P08842 3/20 0.43
MAPT P10636 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL9336832 0.93 NR1I2 (0.50) NR1I2HDAC1HDAC8HDAC3HDAC2
SCHEMBL8862087 0.84 ALDH1A1 (0.45) NR1I2HDAC1HDAC8HDAC3HDAC2
SCHEMBL20382586 0.83 CA1 (0.53) HDAC1HDAC8HDAC3HDAC2ALDH1A1
SCHEMBL12981549 0.83 HTT (0.44) NR1I2HDAC1HDAC3HDAC2ALDH1A1
SCHEMBL31618944 0.82 MAPT (0.46) NR1I2HDAC1HDAC8HDAC3HDAC2
SCHEMBL810463 0.81 MAPT (0.45) NR1I2HDAC1HDAC8HDAC3HDAC2
SCHEMBL809790 0.81 MAPT (0.44) NR1I2HDAC1HDAC8HDAC3HDAC2
SCHEMBL27944125 0.80 HSD17B3 (0.62) ALDH1A1LMNA
SCHEMBL2010661 0.80 L3MBTL1 (0.49) ALDH1A1LMNA
SCHEMBL28209780 0.80 HSD17B3 (0.62) ALDH1A1LMNA

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-20170240499-A1 METHOD FOR COUPLING A FIRST COMPOUND TO A SECOND COMPOUND DOW GLOBAL TECHNOLOGIES LLC 2017-08-24 US disclosed
WO-2016057771-A1 METHOD FOR COUPLING A FIRST COMPOUND TO A SECOND COMPOUND DOW GLOBAL TECHNOLOGIES LLC (US) 2016-04-14 WO 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-20170240499-A1 METHOD FOR COUPLING A FIRST COMPOUND TO A SECOND COMPOUND SQLE, FDPS, PAICS NR1I2 3882/4885CNR1 1305/4885HDAC1 2300/4885

“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.