SCHEMBL5611209

SCHEMBL5611209

Cc1cc2c(cc1C=O)C(C)(C)[C@H](C)[C@@H](C)C2(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
KCNJ1 P48048 1/20 0.33
TSHR P16473 1/20 0.33
RXRA P19793 1/20 0.33
ERN1 O75460 1/20 0.32
ELANE P08246 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL30292091 1.00 GRIA1 (0.39) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL5396132 1.00 GRIA1 (0.39) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL9078609 1.00 GRIA1 (0.39) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL5611213 1.00 GRIA1 (0.39) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL30754351 1.00 GRIA1 (0.39) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL9078615 1.00 GRIA1 (0.39) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL29369649 1.00 GRIA1 (0.39) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL9215398 0.89 RXRA (0.42) GRIA1GRIA2GRIA3GRIA4ALDH1A1
Acetone SCHEMBL4711588 0.80 RXRA (0.36) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL9211089 0.80 RARG (0.47) GRIA1GRIA2GRIA3GRIA4ALDH1A1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664286-B1 Tetralin nitriles, their use as ingredients for perfumes and oxime intermediates for their preparation FIRMENICH & CIE (CH) 1998-04-22 EP claimed
US-5442124-A Process for the preparation of novel aromatic compounds FIRMENICH SA (CH) 1995-08-15 US claimed
EP-0664286-A1 Tetralin nitriles, their use as ingredients for perfumes and oxime intermediates for their preparation FIRMENICH SA (CH) 1995-07-26 EP claimed
EP-0405427-B1 Aromatic compounds, process for their preparation and their use as perfuming ingredients FIRMENICH & CIE (CH) 1995-03-29 EP claimed
US-5162588-A Muky type odor; colognes, shaving lotions, soaps, bath gels, shampoos, hair care products FIRMENICH S.A. (CH) 1992-11-10 US claimed
EP-0405427-A2 Aromatic compounds, process for their preparation and their use as perfuming ingredients FIRMENICH SA (CH) 1991-01-02 EP claimed
JP-3044348-A None JP disclosed
US-11203729-B2 Unsaturated macrocyclic epoxide as perfuming ingredient FIRMENICH SA (CH) 2021-12-21 US disclosed
US-20180362881-A1 UNSATURATED MACROCYCLIC EPOXIDE AS PERFUMING INGREDIENT FIRMENICH SA (CH) 2018-12-20 US disclosed
EP-3134498-B1 UNSATURED MACROCYCLIC EPOXIDE AS PERFUMING INGREDIENT FIRMENICH & CIE (CH) 2018-01-31 EP disclosed
US-20170058236-A1 UNSATURATED MACROCYCLIC EPOXIDE AS PERFUMING INGREDIENT FIRMENICH SA (CH) 2017-03-02 US disclosed
EP-2935180-B1 SAGE ODORANT FIRMENICH & CIE (CH) 2016-09-21 EP disclosed
US-9284513-B2 Sage odorant FIRMENICH SA (CH) 2016-03-15 US disclosed
EP-0664286-A1 Tetralin nitriles, their use as ingredients for perfumes and oxime intermediates for their preparation FIRMENICH SA (CH) 1995-07-26 EP disclosed
EP-0405427-B1 Aromatic compounds, process for their preparation and their use as perfuming ingredients FIRMENICH & CIE (CH) 1995-03-29 EP disclosed
US-5324875-A Musk odor FIRMENICH SA (CH) 1994-06-28 US disclosed
US-5185318-A Aromatic compounds, a process for preparation thereof and use of same as perfuming ingredients FIRMENICH S.A. (CH) 1993-02-09 US disclosed
US-5162588-A Muky type odor; colognes, shaving lotions, soaps, bath gels, shampoos, hair care products FIRMENICH S.A. (CH) 1992-11-10 US disclosed
JP-H0344348-A NOVEL AROMATIC COMPOUND, PREPARATION THEREOF, PERFUMING COMPOSITION OR PERFUMED ARTICLE CONTAINING THE SAME, METHOD TO IMPROVE, EMPHASIZE OR CHANGE PERFUME CHARACTERISTICS AND INTERMEDIATE OF THE SAME FIRMENICH SA 1991-02-26 JP disclosed
EP-0405427-A2 Aromatic compounds, process for their preparation and their use as perfuming ingredients FIRMENICH SA (CH) 1991-01-02 EP 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-20180362881-A1 UNSATURATED MACROCYCLIC EPOXIDE AS PERFUMING INGREDIENT PTGES, TECR, EPHX2 GRIA1 4030/4885GRIA2 4131/4885GRIA3 4589/4885
US-20170058236-A1 UNSATURATED MACROCYCLIC EPOXIDE AS PERFUMING INGREDIENT PTGIS, PTGES, VKORC1 GRIA1 3596/4885GRIA2 3683/4885GRIA3 4018/4885
US-11203729-B2 Unsaturated macrocyclic epoxide as perfuming ingredient PTGES, TECR, EPHX2 GRIA1 4030/4885GRIA2 4131/4885GRIA3 4589/4885

“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.