SCHEMBL16328964

SCHEMBL16328964

C=C(C)C(=O)OCC(CCCCCC(C)C)OCCC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.50
▸ THRB P10828 1/20 0.37
▸ POLB P06746 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ FAAH O00519 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PRKCA P17252 2/20 0.31
▸ TLR2 O60603 3/20 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
SCHEMBL17100041 0.86 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28850723 0.82 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL11938097 0.81 TSHR (0.54) TSHRTHRBPOLBAPEX1HTT
SCHEMBL14378449 0.81 TSHR (0.52) TSHRTHRBPOLBAPEX1HTT
SCHEMBL14378251 0.81 TSHR (0.50) TSHRTHRBTDP1ALDH1A1LMNA
SCHEMBL8067583 0.78 TSHR (0.49) TSHRTHRBTDP1ALDH1A1TLR2
SCHEMBL7736289 0.78 TSHR (0.77) TSHRTHRBPOLBAPEX1HTT
SCHEMBL31207506 0.78 TSHR (0.77) TSHRTHRBPOLBAPEX1HTT
SCHEMBL29580544 0.78 TSHR (0.72) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2912477 0.78 TSHR (0.77) TSHRTHRBPOLBAPEX1HTT

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-20160038388-A1 HAIR CARE COMPOSITIONS AND METHODS OF TREATING HAIR USING SAME LIVING PROOF INC (US) 2016-02-11 — — US disclosed
US-20110008265-A1 In Situ Polymerization For Hair Treatment LIVING PROOF, INC. (US) 2011-01-13 — — 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-20110008265-A1 In Situ Polymerization For Hair Treatment PPOX, SUCLG1, GFER TSHR 3539/4885THRB 3991/4885POLB 141/4885
US-20160038388-A1 HAIR CARE COMPOSITIONS AND METHODS OF TREATING HAIR USING SAME TET1, TET2, TET3 TSHR 3749/4885THRB 2758/4885POLB 308/4885

“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.

Send feedback