Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4993141

COc1ccncc1-c1ccc(CC2NCCc3cc4c(cc32)OCO4)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.47
BCHE P06276 1/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
PPARD Q03181 1/20 0.41

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
SCHEMBL14205104 0.92 BCHE (0.50) BCHEADRB2ADRB1ADRB3KDM4E
Hydrochloric Acid SCHEMBL4532989 0.91 BCHE (0.49) BCHEADRB2ADRB1ADRB3KDM4E
Trifluoroacetic Acid SCHEMBL4990251 0.88 KDM1A (0.49) KDM1AADRB2
SCHEMBL14172482 0.81 BCHE (0.64) BCHEADRB2ADRB1ADRB3KDM4E
SCHEMBL14172521 0.80 BCHE (0.54) BCHEADRB2ADRB1ADRB3KDM4E
Hydrochloric Acid SCHEMBL4502753 0.80 BCHE (0.63) BCHEADRB2ADRB1ADRB3KDM4E
SCHEMBL14205106 0.79 DRD2 (0.42) KDM1ABCHEADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL4515033 0.78 DRD2 (0.41) KDM1ABCHEADRB2ADRB1ADRB3
SCHEMBL14172524 0.76 PPARD (0.43) KDM4EMAPTPPARD
SCHEMBL14172490 0.75 BCHE (0.65) BCHEADRB2ADRB1ADRB3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507523-B2 anticarcinogenic agents such as 6,7-dimethoxy-1-(4-pyridin-4-ylbenzyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride salt, used for treating gliomas or retinoblastomas; side effect reduction THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2013-08-13 US disclosed
US-20080146597-A1 Therapeutic Tetrahydroisoquinoline-Based Compositions for Cancer Therapy UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2008-06-19 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-20080146597-A1 Therapeutic Tetrahydroisoquinoline-Based Compositions for Cancer Therapy TP53, MCL1, HRAS KDM1A 2545/4885BCHE 3141/4885ADRB2 3294/4885

“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.