SCHEMBL4115330

SCHEMBL4115330

O=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1OCc1ccc(C(F)(F)F)o1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
HTR6 P50406 2/20 0.44
MRGPRX4 Q96LA9 5/20 0.42
PPARD Q03181 2/20 0.42
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
PTPN11 Q06124 1/20 0.40
SYK P43405 1/20 0.39

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
SCHEMBL3995545 0.80 PTPN1 (0.58) MRGPRX4PPARDPTPN2PTPN1PTPN6
SCHEMBL4602156 0.76 PTPN11 (0.60) PPARDPTPN1PTPN6PTPN11SYK
SCHEMBL3943762 0.73 CFD (0.47) PPARDRXRARXRBRXRG
SCHEMBL3992911 0.73 CFD (0.51) PPARDRXRARXRBSYK
SCHEMBL3991789 0.71 PTPN1 (0.58) MRGPRX4PTPN2PTPN1PTPN6RXRA
SCHEMBL3997039 0.71 CFD (0.74) RXRARXRBRXRG
SCHEMBL23226557 0.70 PTPN1 (0.61) MRGPRX4PPARDPTPN2PTPN1PTPN6
SCHEMBL3995376 0.69 RXRB (0.58) PPARDPTPN1PTPN6RXRARXRB
SCHEMBL8243758 0.69 LRRK2 (0.58) MRGPRX4PPARDPTPN2PTPN1PTPN6
SCHEMBL4200632 0.69 LRRK2 (0.63) SLC6A4HTR2CHTR2BMRGPRX4RXRA

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-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 US disclosed
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 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-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 SLC6A4 4491/4885HTR2C 438/4885HTR2B 389/4885

“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.