SCHEMBL3098764

SCHEMBL3098764

C=C(C)C(=O)OC(C)NCC(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 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CA2 P00918 1/20 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
SCHEMBL8886257 0.77 TSHR (0.40) TSHRALDH1A1
SCHEMBL6259835 0.76 TSHR (0.33) TSHRALDH1A1
SCHEMBL2274473 0.76 TSHR (0.33) TSHRALDH1A1
SCHEMBL29827761 0.75 TSHR (0.34) TSHR
SCHEMBL9348325 0.74 TSHR (0.34) TSHRALDH1A1
SCHEMBL9874267 0.74 TSHR (0.32) TSHR
SCHEMBL25285219 0.74 TSHR (0.32) TSHR
SCHEMBL1536958 0.73 TSHR (0.40) TSHRALDH1A1
SCHEMBL2396170 0.73 TSHR (0.36) TSHRALDH1A1
SCHEMBL55494 0.73 TSHR (0.36) TSHRALDH1A1

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 1783/4885ALDH1A1 4048/4885CA2 4709/4885
US-20080127429-A1 Coloring composition of keratinous fibers comprising at least one polysiloxane/polyurea block copolymer KRT18, PUF60, VIM TSHR 4756/4885ALDH1A1 2435/4885CA2 3392/4885
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 1648/4885ALDH1A1 2290/4885CA2 3249/4885

“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.