SCHEMBL3268475

SCHEMBL3268475

O=C(OCc1ccccc1)[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 10/20 0.50
TSHR P16473 1/20 0.46
ACE P12821 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
F2 P00734 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL9877388 0.91 FKBP1A (0.49) FKBP1ATSHRACEMEN1KMT2A
SCHEMBL9878033 0.91 FKBP1A (0.49) FKBP1ATSHRACEMEN1KMT2A
SCHEMBL9775235 0.89 ALDH1A1 (0.50) FKBP1ATSHRACEMEN1KMT2A
SCHEMBL19955370 0.88 FKBP1A (0.51) FKBP1ATSHRACEMEN1KMT2A
SCHEMBL13609888 0.88 FKBP1A (0.51) FKBP1ATSHRACEMEN1KMT2A
SCHEMBL9775269 0.87 ACE (0.46) FKBP1ATSHRACEMEN1KMT2A
SCHEMBL11086011 0.85 FKBP1A (0.52) FKBP1ATSHRACEMEN1KMT2A
SCHEMBL10520643 0.85 FKBP1A (0.52) FKBP1ATSHRACEMEN1KMT2A
SCHEMBL15457809 0.85 FKBP1A (0.46) FKBP1ATSHRACEMEN1KMT2A
SCHEMBL9774191 0.85 PREP (0.47) FKBP1AACEMEN1KMT2ACYP3A4

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-8937150-B2 Anti-viral compounds ABBVIE INC. (US) 2015-01-20 US disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 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-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FKBP1A 2526/4885TSHR 4834/4885ACE 256/4885

“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.