Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4521622

Cc1cccc(C)c1C1CCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)[nH]c3ccccc23)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
RGS12 O14924 1/20 0.43
MCL1 Q07820 3/20 0.43
KDM4E B2RXH2 6/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
CNR1 P21554 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL4524065 1.00 ALDH1A1 (0.43) ALDH1A1RGS12MCL1KDM4EHSD17B10
Trifluoroacetic Acid SCHEMBL4515923 0.99 MCL1 (0.44) ALDH1A1RGS12MCL1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL4530582 0.94 ALDH1A1 (0.47) ALDH1A1RGS12MCL1KDM4EHSD17B10
Trifluoroacetic Acid SCHEMBL4529169 0.91 KDM4E (0.41) ALDH1A1MCL1KDM4EHSD17B10KMT2A
Trifluoroacetic Acid SCHEMBL4530227 0.90 CNR1 (0.46) ALDH1A1MCL1KDM4EKMT2AMEN1
Trifluoroacetic Acid SCHEMBL4514539 0.90 ALDH1A1 (0.43) ALDH1A1MCL1KDM4EHSD17B10KMT2A
Trifluoroacetic Acid SCHEMBL4515642 0.89 KDM4E (0.43) ALDH1A1MCL1KDM4EHSD17B10KMT2A
Trifluoroacetic Acid SCHEMBL4523754 0.89 CNR1 (0.43) ALDH1A1MCL1KDM4EHSD17B10KMT2A
Trifluoroacetic Acid SCHEMBL4527558 0.88 HRH4 (0.42) ALDH1A1MCL1KDM4EKMT2AMEN1
SCHEMBL4523167 0.88 MCL1 (0.51) ALDH1A1RGS12MCL1KDM4EKMT2A

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-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US claimed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 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-20090275555-A1 Substituted indole ligands for the ORL-1 receptor OGFRL1, OPRL1, ORMDL3 ALDH1A1 395/4885RGS12 1175/4885MCL1 1303/4885

“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.