SCHEMBL5962490

SCHEMBL5962490

C=CC(OC(N)=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 2/20 0.38
KCNN4 O15554 7/20 0.37
CYP2C19 P33261 2/20 0.36
HIF1A Q16665 1/20 0.36
AKT1 P31749 1/20 0.35
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
PARP1 P09874 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL25430781 0.86 ALDH1A1 (0.44) HTTMAPTKMT2ATSHRALDH1A1
SCHEMBL3918092 0.81 ALDH1A1 (0.41) HTTMAPTKMT2ATSHRALDH1A1
SCHEMBL28738770 0.79 MAPT (0.47) HTTMAPTKMT2ATSHRALDH1A1
SCHEMBL11265555 0.77 ALDH1A1 (0.38) HTTKMT2ATSHRALDH1A1CYP1A2
SCHEMBL8680769 0.74 MAPT (0.48) HTTMAPTKMT2ATSHRCYP1A2
SCHEMBL29113996 0.74 TSHR (0.39) HTTMAPTKMT2ATSHRALDH1A1
SCHEMBL3073772 0.74 HTT (0.58) HTTMAPTKMT2ATSHRALDH1A1
SCHEMBL7110139 0.74 MMP1 (0.45)
SCHEMBL7123831 0.73 TSHR (0.48) HTTTSHRALDH1A1KCNN4AKT1
SCHEMBL10879317 0.72 MAPT (0.47) HTTMAPTKMT2ATSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0028337-B1 PROCESS FOR PREPARING MIXTURES OF DIPHENYLMETHANE DIISOCYANATES AND POLYPHENYL-POLYMETHYLENE POLYISOCYANATES BASF Aktiengesellschaft (DE) 1985-02-13 EP claimed
US-7022871-B2 Process for the synthesis of polycarbamates HUNTSMAN INTERNATIONAL LLC (US) 2006-04-04 US disclosed
EP-1242368-B1 PROCESS FOR THE SYNTHESIS OF POLYCARBAMATES HUNTSMAN INT LLC (US) 2004-09-15 EP disclosed
US-20030135009-A1 Process for the synthesis of polycarbamates HUNTSMAN INTERNATIONAL LLC 2003-07-17 US disclosed
EP-1242368-A2 PROCESS FOR THE SYNTHESIS OF POLYCARBAMATES HUNTSMAN INTERNATIONAL LLC (US) 2002-09-25 EP disclosed
WO-2001047871-A2 PROCESS FOR THE SYNTHESIS OF POLYCARBAMATES HUNTSMAN INTERNATIONAL LLC (US) 2001-07-05 WO disclosed
US-4349484-A Process for the manufacture of mixtures of diphenylmethane diisocyanates and polyphenyl polymethylene polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 1982-09-14 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-20030135009-A1 Process for the synthesis of polycarbamates ODC1, UROD, PUF60 HTT 2648/4885MAPT 2578/4885KMT2A 127/4885

“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.