SCHEMBL3098779

SCHEMBL3098779

C=C(C)C(=O)OCC(NC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
THRB P10828 1/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL28688493 0.81 TSHR (0.51) TSHRTHRBALDH1A1
SCHEMBL6131172 0.81 TSHR (0.47) TSHRTHRBALDH1A1
SCHEMBL1415511 0.78 TSHR (0.47) TSHRTHRBALDH1A1
SCHEMBL8886282 0.77 TSHR (0.53) TSHRTHRBALDH1A1
SCHEMBL28557383 0.77 TSHR (0.46) TSHRTHRBALDH1A1
SCHEMBL21295949 0.75 TSHR (0.45) TSHRTHRBALDH1A1
SCHEMBL31553186 0.73 THRB (0.48) TSHRTHRBALDH1A1
Perflexane SCHEMBL28384308 0.73 THRB (0.48) TSHRTHRBALDH1A1
SCHEMBL712225 0.72 TSHR (0.45) TSHRTHRBALDH1A1
SCHEMBL711741 0.72 TSHR (0.45) TSHRTHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8337822-B2 Treatment of the hair; forms a coating resistant to external attacks such as blow drying and/or perspiration, has excellent adhesion to individual hairs, and is resistant to shampooing; polyureadimethicone for example L'OREAL (FR) 2012-12-25 US disclosed
US-7799093-B2 Coloring composition of keratinous fibers comprising at least one polysiloxane/polyurea block copolymer L'ORéAL S.A. (FR) 2010-09-21 US disclosed
US-20090053159-A1 Anhydrous cosmetic compositions comprising at least one silicone copolymer, at least one volatile silicone, and at least one non-volatile linear polydimethylsiloxane L'OREAL S.A. (FR) 2009-02-26 US disclosed
US-20080171010-A1 Use of a polysiloxane/polyurea block copolymer for the treatment of keratinous fibers L'OREAL S.A. (FR) 2008-07-17 US disclosed
US-20080127429-A1 Coloring composition of keratinous fibers comprising at least one polysiloxane/polyurea block copolymer L'OREAL S.A. (FR) 2008-06-05 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 (3 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-20080171010-A1 Use of a polysiloxane/polyurea block copolymer for the treatment of keratinous fibers KRT18, POLR1C, PRKDC TSHR 1783/4885THRB 802/4885ALDH1A1 4048/4885
US-20080127429-A1 Coloring composition of keratinous fibers comprising at least one polysiloxane/polyurea block copolymer KRT18, PUF60, VIM TSHR 4756/4885THRB 2875/4885ALDH1A1 2435/4885
US-20090053159-A1 Anhydrous cosmetic compositions comprising at least one silicone copolymer, at least one volatile silicone, and at least one non-volatile linear polydimethylsiloxane KRT18, SHH, SPTAN1 TSHR 1648/4885THRB 1618/4885ALDH1A1 2290/4885

“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.