SCHEMBL997091

SCHEMBL997091

CCOC(=O)N(C)C1CCC(CC2CCC(N(C)C(=O)OCC)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.35
LSS P48449 3/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDE10A Q9Y233 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL24042812 0.91 MAPT (0.40) TSHRMAPTCA12CA1CA2
SCHEMBL22256857 0.85 TSHR (0.44) TSHRMAPTCA12CA1CA2
SCHEMBL17872849 0.85 ALDH1A1 (0.36) TSHRMAPTLSSCA12CA1
SCHEMBL17872847 0.85 ALDH1A1 (0.36) TSHRMAPTLSSCA12CA1
SCHEMBL12549046 0.84 JAK3 (0.37) TSHRMAPTCA12CA1CA2
SCHEMBL12548499 0.84 JAK3 (0.37) TSHRMAPTCA12CA1CA2
SCHEMBL12712977 0.84 JAK3 (0.37) TSHRMAPTCA12CA1CA2
SCHEMBL22256852 0.83 TSHR (0.47) TSHRMAPTALDH1A1MEN1KMT2A
SCHEMBL12548917 0.82 TSHR (0.35) TSHRMAPTCA12CA1CA2
SCHEMBL12548922 0.82 TSHR (0.35) TSHRMAPTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4069240-A GROUP 8 METAL CATALYST UNIROYAL, INC. (US) 1978-01-17 US claimed
US-8809574-B2 Method for preparing isocyanates by liquid-phase thermal cracking LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2014-08-19 US disclosed
US-20110021810-A1 METHOD FOR PREPARING ISOCYANATES BY LIQUID-PHASE THERMAL CRACKING LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2011-01-27 US disclosed
US-4069240-A GROUP 8 METAL CATALYST UNIROYAL, INC. (US) 1978-01-17 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-20110021810-A1 METHOD FOR PREPARING ISOCYANATES BY LIQUID-PHASE THERMAL CRACKING DBI, CCNI, DGKI TSHR 4586/4885MAPT 3168/4885LSS 3496/4885

“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.