SCHEMBL13290804

SCHEMBL13290804

CCCCOC(=O)[C@@H](N)c1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.57
ESR1 P03372 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPK1 P28482 3/20 0.57
LMNA P02545 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP2D6 P10635 1/20 0.57
NR1H2 P55055 1/20 0.57
RNASEL Q05823 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
LTA4H P09960 2/20 0.45
NR5A1 Q13285 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.44
PDE4D Q08499 1/20 0.44
ALDH1A1 P00352 4/20 0.44

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
SCHEMBL13387443 0.93 SMN1; SMN2 (0.50) TSHRESR1SMN1; SMN2MAPK1LMNA
Hydrochloric Acid SCHEMBL11457826 0.89 ESR1 (0.53) TSHRESR1SMN1; SMN2MAPK1LMNA
SCHEMBL12859656 0.87 SMN1; SMN2 (0.46) TSHRESR1SMN1; SMN2MAPK1LMNA
SCHEMBL11493211 0.86 FAAH (0.48) TSHRSMN1; SMN2MAPK1LMNACYP1A2
SCHEMBL8274236 0.86 FAAH (0.47) TSHRESR1SMN1; SMN2MAPK1LMNA
SCHEMBL8356570 0.85 TSHR (0.53) TSHRSMN1; SMN2MAPK1LMNACYP1A2
SCHEMBL3806764 0.85 TSHR (0.53) TSHRSMN1; SMN2MAPK1LMNACYP1A2
SCHEMBL27904059 0.84 TSHR (0.53) TSHRESR1SMN1; SMN2MAPK1LMNA
SCHEMBL388023 0.83 SMN1; SMN2 (0.60) TSHRESR1SMN1; SMN2MAPK1LMNA
SCHEMBL2746868 0.83 LMNA (0.58) TSHRSMN1; SMN2MAPK1LMNANR5A1

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
EP-1824868-B1 CHIRAL COMPOUND SUITABLE AS A CATALYST FOR ASYMMETRIC TRANSFER HYDROGENATION DSM IP ASSETS BV (NL) 2010-06-02 EP disclosed
US-20080269529-A1 Chiral Compound Suitable as a Catalyst for Asymmetric Transfer Hydrogenation PATHEON HOLDINGS I B.V. (NL) 2008-10-30 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-20080269529-A1 Chiral Compound Suitable as a Catalyst for Asymmetric Transfer Hydrogenation SLC30A6, SLC39A14, SLC30A5 TSHR 824/4885ESR1 2668/4885SMN1; SMN2 4188/4885

“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.