SCHEMBL23477341

SCHEMBL23477341

CCCCCN(CCCC)N=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
DNM1 Q05193 3/20 0.42
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA9 Q16790 4/20 0.39
CA2 P00918 2/20 0.38
THRB P10828 1/20 0.35
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
KDM5A P29375 2/20 0.32

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
SCHEMBL896509 0.97 TSHR (0.48) TSHRDNM1CA12CA1CA9
SCHEMBL10793051 0.95 DNM1 (0.48) TSHRDNM1CA12CA1CA9
SCHEMBL11554162 0.95 DNM1 (0.48) TSHRDNM1CA12CA1CA9
SCHEMBL11416179 0.95 DNM1 (0.48) TSHRDNM1CA12CA1CA9
SCHEMBL606730 0.95 TSHR (0.50) TSHRDNM1CA12CA1CA9
SCHEMBL10792995 0.90 TSHR (0.46) TSHRDNM1CA12CA1CA9
SCHEMBL4562415 0.87 TSHR (0.57) TSHRDNM1CA12CA1CA9
SCHEMBL870314 0.86 SMN1; SMN2 (0.46) TSHRDNM1CA12CA1CA9
SCHEMBL3341604 0.84
SCHEMBL4732004 0.83 CA12 (0.40) TSHRCA12CA1CA9CA2

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
WO-2021111464-A1 A PROCESS FOR THE PREPARATION OF HIGHLY PURE VALSARTAN HARMAN FINOCHEM LIMITED (IN) 2021-06-10 WO disclosed
US-20170012226-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2017-01-12 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-20170012226-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME TBL2, TBL3, TLL1 TSHR 25/4885DNM1 4309/4885CA12 2688/4885

“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.