SCHEMBL14701530

SCHEMBL14701530

CCC(=O)NC(CC)c1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
ESR1 P03372 2/20 0.47
PGR P06401 1/20 0.47
CHRM2 P08172 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
AR P10275 1/20 0.47
MAPT P10636 1/20 0.47
CHRM1 P11229 1/20 0.47
ALOX15 P16050 1/20 0.47
DRD1 P21728 1/20 0.47
TBXA2R P21731 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47

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
SCHEMBL6859171 0.86 SMN1; SMN2 (0.54) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL14701529 0.84 SLC6A9 (0.58) LMNAALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL14535420 0.84 ALDH1A1 (0.59) LMNAALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL14701528 0.84 ALDH1A1 (0.59) LMNAALDH1A1SMN1; SMN2TDP1KDM4E
SCHEMBL16563919 0.84 LMNA (0.54) LMNAALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL23222750 0.73 ESR1 (0.54) LMNAALDH1A1SMN1; SMN2CYP1A2CYP3A4
Bicarbonate SCHEMBL10591562 0.72 ESR1 (0.58) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14224780 0.72 KMT2A (0.47) LMNAALDH1A1SMN1; SMN2SLC6A3MEN1
SCHEMBL17874856 0.72 HPGD (0.49) LMNAESR1PGROPRM1TDP1
SCHEMBL6857598 0.72 KEAP1 (0.59) LMNAALDH1A1SMN1; SMN2MAPTKDM4E

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-8809338-B2 1,2,3-triazole-based peptidomimetic integrin inhibitors for the diagnosis and therapy of tumors UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2014-08-19 US disclosed
US-20130040964-A1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2013-02-14 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-20130040964-A1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS ICAM1, ITGB3, VCAM1 LMNA 4608/4885ALDH1A1 368/4885SMN1; SMN2 4428/4885

“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.