SCHEMBL3029611

SCHEMBL3029611

CN(CCS)N(C)CCS

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.64
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
MAPT P10636 1/20 0.33
PRMT3 O60678 1/20 0.30
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
PRMT1 Q99873 1/20 0.30
PRMT8 Q9NR22 1/20 0.30

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
Captamine SCHEMBL258800 0.78
Captamine SCHEMBL10386744 0.75
Captamine SCHEMBL126014 0.75
Captamine SCHEMBL8411585 0.75
SCHEMBL2462100 0.75
Captamine SCHEMBL11869601 0.75 TDP1 (0.92) TDP1ALDH1A1TSHRCA12CA2
Captamine SCHEMBL9709132 0.75
Captamine SCHEMBL2244968 0.72
SCHEMBL11223201 0.72 TDP1 (0.60) TDP1ALDH1A1TSHRCA12CA2
Captamine SCHEMBL28091581 0.72

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-20100209373-A1 DITHIOLS AND USE THEREOF FOR STRENGTHENING THE HAIR L'OREAL S.A. (FR) 2010-08-19 US disclosed
US-20050019290-A1 Dithiols and use thereof for strengthening the hair L'OREAL S.A. (FR) 2005-01-27 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-20100209373-A1 DITHIOLS AND USE THEREOF FOR STRENGTHENING THE HAIR KRT18, DSG1, DSP TDP1 2663/4885ALDH1A1 2186/4885TSHR 2948/4885
US-20050019290-A1 Dithiols and use thereof for strengthening the hair KRT18, DSG1, DSP TDP1 2663/4885ALDH1A1 2186/4885TSHR 2948/4885

“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.