Sugi Predict

Sugi Predict / Compounds / SCHEMBL6494829

SCHEMBL6494829

SCHEMBL6494829

Cc1cc(C)c(N2CCCN(c3c(C)cc(C)cc3C)C2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.49
▸ MAPT P10636 4/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ HRH3 Q9Y5N1 3/20 0.38
▸ KDM4E B2RXH2 5/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ CASP1 P29466 2/20 0.36
▸ CASP7 P55210 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ GAA P10253 4/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ NR4A1 P22736 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PTK2B Q14289 1/20 0.33

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
Bromide SCHEMBL1609046 0.98 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2NPSR1POLB
SCHEMBL16307952 0.95 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2NPSR1POLB
SCHEMBL283988 0.91 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2NPSR1POLB
Hydrochloric Acid SCHEMBL451487 0.88 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2NPSR1POLB
Hydrochloric Acid SCHEMBL28554078 0.88 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2NPSR1POLB
Bromide SCHEMBL1608735 0.88 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2NPSR1POLB
SCHEMBL15316122 0.86 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2NPSR1POLB
SCHEMBL28517649 0.84 ALDH1A1 (0.65) ALDH1A1MAPTSMN1; SMN2NPSR1POLB
SCHEMBL21943721 0.83 MAPT (0.41) ALDH1A1MAPTSMN1; SMN2NPSR1POLB
SCHEMBL30874625 0.83 HTT (0.46) ALDH1A1MAPTSMN1; SMN2NPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938253-B2 Catalysts for efficient Z-selective metathesis TRUSTEES OF BOSTON COLLEGE (US) 2018-04-10 — — US disclosed
US-20140371454-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS TRUSTEES OF BOSTON COLLEGE 2014-12-18 — — US disclosed
US-20050014916-A1 Ruthenium complexes, process for preparation thereof, and processes for producing open-ring polymer of cycloolefins and hydrogenation products thereof by using the complex as catalyst ZEON CORPORATION (JP) 2005-01-20 — — 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-20140371454-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS ADH5, ADH1A, ADH1C ALDH1A1 21/4885MAPT 3557/4885SMN1; SMN2 1849/4885
US-20050014916-A1 Ruthenium complexes, process for preparation thereof, and processes for producing open-ring polymer of cycloolefins and hydrogenation products thereof by using the complex as catalyst POR, CAD, HRH1 ALDH1A1 3138/4885MAPT 2369/4885SMN1; SMN2 4578/4885

“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.