SCHEMBL16596099

SCHEMBL16596099

CCC(C)(CC)COC(C)(C)CC

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL15305802 0.85 ALDH1A1 (0.42) TSHRTDP1ALDH1A1
SCHEMBL9750838 0.79 TSHR (0.45) TSHRTDP1ALDH1A1
SCHEMBL4546723 0.79 TSHR (0.45) TSHRTDP1ALDH1A1
SCHEMBL6673656 0.77 TSHR (0.43) TSHRTDP1ALDH1A1
SCHEMBL12240844 0.74 TSHR (0.41) TSHRTDP1ALDH1A1
SCHEMBL27895926 0.74 TSHR (0.41) TSHRTDP1ALDH1A1
SCHEMBL21587465 0.74 TSHR (0.41) TSHRTDP1ALDH1A1
SCHEMBL21276482 0.74 TSHR (0.41) TSHRTDP1ALDH1A1
SCHEMBL19112220 0.74 TSHR (0.30) TSHRTDP1
SCHEMBL19389597 0.72 ALDH1A1 (0.39) TSHRTDP1ALDH1A1

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-9745334-B2 Cytotoxic-drug delivering molecules targeting HIV (CDM-Hs), cytotoxic activity against the human immunodeficiency virus and methods of use YALE UNIVERSITY (US) 2017-08-29 US disclosed
US-20150087609-A1 CYTOTOXIC-DRUG DELIVERING MOLECULES TARGETING HIV (CDM-HS), CYTOTOXIC ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS AND METHODS OF USE YALE UNIVERSITY 2015-03-26 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-20150087609-A1 CYTOTOXIC-DRUG DELIVERING MOLECULES TARGETING HIV (CDM-HS), CYTOTOXIC ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS AND METHODS OF USE CD4, HAVCR2, CD74 TSHR 4086/4885TDP1 4686/4885ALDH1A1 3922/4885

“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.