SCHEMBL3800854

SCHEMBL3800854

CCC([C](C)C)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 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
SCHEMBL9392030 0.77 TSHR (0.39) TSHR
SCHEMBL18613882 0.77 CA1 (0.34) TSHRCA1CA2CA7CA14
SCHEMBL5872376 0.77 TSHR (0.33) TSHR
SCHEMBL10496811 0.77 TSHR (0.33) TSHR
SCHEMBL4654398 0.77 TSHR (0.39) TSHR
SCHEMBL3064643 0.75 TSHR (0.32) TSHR
SCHEMBL9229146 0.73 TSHR (0.36) TSHR
SCHEMBL9938412 0.73 TSHR (0.31) TSHR
SCHEMBL10372952 0.73 TSHR (0.31) TSHR
SCHEMBL11720174 0.73 CA2 (0.38) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298328-A1 1-Heterocyclylamino-2-Hydroxy-3-Amino-Omega-Arylalkanes VITAE PHARMACEUTICALS, INC 2010-11-25 US claimed
WO-2007123718-A1 1-HETEROCYCLYLAMINO-2-HYDROXY-3-AMINO-ω-ARYLALKANES VITAE PHARMACEUTICALS, INC. (US) 2007-11-01 WO claimed
US-20100298328-A1 1-Heterocyclylamino-2-Hydroxy-3-Amino-Omega-Arylalkanes VITAE PHARMACEUTICALS, INC 2010-11-25 US disclosed
WO-2007123718-A1 1-HETEROCYCLYLAMINO-2-HYDROXY-3-AMINO-ω-ARYLALKANES VITAE PHARMACEUTICALS, INC. (US) 2007-11-01 WO disclosed
US-6911303-B2 Light-sensitive silver halide grain FUJI PHOTO FILM, CO., LTD. (JP) 2005-06-28 US disclosed
US-20030186179-A1 Light-sensitive silver halide grain FUJI PHOTO FILM CO., LTD. 2003-10-02 US disclosed
US-6413709-B1 SILVER HALIDE EMULSION DISPERSION FUJI PHOTO FILM CO., LTD. (JP) 2002-07-02 US disclosed
EP-0573649-B1 SILVER HALIDE PHOTOGRAPHIC MATERIAL FUJI PHOTO FILM CO LTD (JP) 1999-04-07 EP disclosed
EP-0572662-B1 SILVER HALIDE PHOTOGRAPHIC MATERIAL FUJI PHOTO FILM CO LTD (JP) 1999-03-17 EP disclosed
US-5561033-A SUBJECTING SILVER HALIDE EMULSION TO TELLURIUM SENSITIZATION FUJI PHOTO FILM, CO., LTD. (JP) 1996-10-01 US disclosed
EP-0573649-A1 SILVER HALIDE PHOTOGRAPHIC MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 1993-12-15 EP disclosed
EP-0572662-A1 SILVER HALIDE PHOTOGRAPHIC MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 1993-12-08 EP disclosed
US-4804654-A INSECTICIDES, MITICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-02-14 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-20100298328-A1 1-Heterocyclylamino-2-Hydroxy-3-Amino-Omega-Arylalkanes REN, AGTR1, AGTR2 TSHR 3735/4885CA1 4781/4885CA2 2137/4885

“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.