SCHEMBL3923809

SCHEMBL3923809

CC(C)(C(=O)C(C)(C)C(F)(F)F)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 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
SCHEMBL13087070 0.87
SCHEMBL3915005 0.80 THRB (0.38)
SCHEMBL23009526 0.78 LIPA (0.32)
SCHEMBL247988 0.76 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL8416761 0.76 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL1373127 0.76 LMNA (0.31) ALDH1A1TSHR
SCHEMBL571858 0.76 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL10176683 0.74 TRPA1 (0.36) TSHR
SCHEMBL1053410 0.73 LMNA (0.33)
SCHEMBL23176760 0.72 KMT2A (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3294720-B1 A PROCESS FOR THE PREPARATION OF TERPINOLENE EPOXIDE BASF AGRO BV (NL) 2020-12-02 EP claimed
EP-3294720-A1 A PROCESS FOR THE PREPARATION OF TERPINOLENE EPOXIDE BASF Agro B.V. (NL) 2018-03-21 EP claimed
WO-2016180642-A1 A PROCESS FOR THE PREPARATION OF TERPINOLENE EPOXIDE BASF Agro B.V. (NL) 2016-11-17 WO claimed
EP-3294720-B1 A PROCESS FOR THE PREPARATION OF TERPINOLENE EPOXIDE BASF AGRO BV (NL) 2020-12-02 EP disclosed
US-10344008-B2 Process for the preparation of terpinolene epoxide BASF Agro B.V. (NL) 2019-07-09 US disclosed
US-20180141924-A1 A PROCESS FOR THE PREPARATION OF TERPINOLENE EPOXIDE BASF Agro B.V. (NL) 2018-05-24 US disclosed
EP-3294720-A1 A PROCESS FOR THE PREPARATION OF TERPINOLENE EPOXIDE BASF Agro B.V. (NL) 2018-03-21 EP disclosed
WO-2016180642-A1 A PROCESS FOR THE PREPARATION OF TERPINOLENE EPOXIDE BASF Agro B.V. (NL) 2016-11-17 WO disclosed
US-7501074-B2 Haloketone refrigerant compositions and uses thereof E. I. DU PONT DE NEMOURS AND COMPANY 2009-03-10 US disclosed
US-20050194560-A1 Haloketone refrigerant compositions and uses thereof E. I. DU PONT DE NEMOURS AND COMPANY 2005-09-08 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-20180141924-A1 A PROCESS FOR THE PREPARATION OF TERPINOLENE EPOXIDE SQLE, TTPA, EPHX1 ALDH1A1 378/4885TSHR 1311/4885
US-10344008-B2 Process for the preparation of terpinolene epoxide SQLE, TTPA, POR ALDH1A1 479/4885TSHR 1337/4885

“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.