SCHEMBL17210682

SCHEMBL17210682

COc1ccc(CC(=O)C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.53
CTBP2 P56545 1/20 0.51
HDAC4 P56524 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
LDHA P00338 1/20 0.49
MAPT P10636 1/20 0.47

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
SCHEMBL13012117 0.83 HTT (0.59) HTTSMN1; SMN2CTBP2ALDH1A1CYP3A4
SCHEMBL10608437 0.82 CES1 (0.55) CES1SMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL28376858 0.82 HTT (0.54) HTTSMN1; SMN2CTBP2ALDH1A1CYP3A4
Trifluoroacetic Acid SCHEMBL7562496 0.82 KDM4E (0.62) HTTSMN1; SMN2CTBP2USP2TP53
SCHEMBL7634928 0.82 F2RL1 (0.62) SMN1; SMN2ALDH1A1POLB
SCHEMBL6026975 0.81 HTT (0.58) HTTSMN1; SMN2CTBP2ALDH1A1CYP3A4
SCHEMBL28375576 0.81 HTT (0.53) HTTSMN1; SMN2CTBP2ALDH1A1CYP3A4
SCHEMBL5271327 0.80 FAAH (0.60) CES1ALDH1A1POLB
SCHEMBL7562503 0.80 KMT2A (0.52) HTTSMN1; SMN2CTBP2ALDH1A1CYP3A4
Trifluoroacetic Acid SCHEMBL5655817 0.80 HTT (0.51) HTTCTBP2ALDH1A1CYP3A4CYP2C19

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
US-20250288683-A1 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS Treeline Biosciences, Inc. 2025-09-18 US disclosed
EP-4519272-A1 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS Treeline Biosciences, Inc. (US) 2025-03-12 EP disclosed
US-11873389-B2 Composition and molded article AKITA UNIVERSITY (JP) 2024-01-16 US disclosed
WO-2023215449-A1 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS Treeline Biosciences, Inc. (US) 2023-11-09 WO disclosed
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2023-06-20 US disclosed
CN-108976170-B 5-trifluoromethyl-4H-imidazoline-4-ketone derivative and synthetic method thereof 华南理工大学 2022-04-22 CN disclosed
CN-109232310-B Trifluoroacetyl group substituted hydrazone derivative and synthesis method thereof 华南理工大学 2021-08-10 CN disclosed
CN-109232310-A A kind of trifluoroacetyl group replaces hydazone derivative and its synthetic method 华南理工大学 2019-01-18 CN disclosed
CN-108976170-A A kind of 5- trifluoromethyl -4H- imidazoline -4- ketone derivatives and synthetic method 华南理工大学 2018-12-11 CN disclosed
EP-2660255-B1 Block copolymers for stable micelles INTEZYNE TECHNOLOGIES INC (US) 2015-10-28 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 (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-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists HCRTR1, HCRTR2, CRHR1 CES1 1845/4885HTT 111/4885SMN1; SMN2 3005/4885
US-20250288683-A1 TETRAHYDROISOQUINOLINE HETEROBIFUNCTIONAL BCL-XL DEGRADERS BCL2L1, BCL2, BCL2L10 CES1 3681/4885HTT 350/4885SMN1; SMN2 2022/4885

“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.