SCHEMBL5160771

SCHEMBL5160771

CCC(Cc1ccc([N+](=O)[O-])cc1)(OC)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
PPARD Q03181 2/20 0.42
KCNJ1 P48048 2/20 0.41
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
MAOB P27338 1/20 0.41
KCNH2 Q12809 1/20 0.41
IDO1 P14902 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40

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
SCHEMBL5160780 1.00 ALDH1A1 (0.49) ALDH1A1POLBTSHRCYP1A2CYP2C19
SCHEMBL5160750 0.78 CYP2C19 (0.48) ALDH1A1POLBTSHRCYP1A2CYP2C19
SCHEMBL5160741 0.78 CYP2C19 (0.48) ALDH1A1POLBTSHRCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL7744795 0.75 CYP2C19 (0.46) ALDH1A1POLBTSHRCYP1A2CYP2C19
Hydrochloric Acid SCHEMBL7744797 0.75 CYP2C19 (0.46) ALDH1A1POLBTSHRCYP1A2CYP2C19
SCHEMBL3080086 0.75 TSHR (0.49) ALDH1A1TSHRCYP1A2CYP2C19PPARD
SCHEMBL6667989 0.75 TSHR (0.49) ALDH1A1TSHRCYP1A2CYP2C19PPARD
SCHEMBL678471 0.75 TSHR (0.52) ALDH1A1TSHRCYP1A2CYP2C19KCNJ1
SCHEMBL7266498 0.74 ALDH1A1 (0.46) ALDH1A1POLBCYP1A2CYP2C19MAPT
SCHEMBL11273163 0.74 LOXL2 (0.46) ALDH1A1TSHRCYP1A2CYP2C19MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753716-A1 BASIC SALTS AND MONOHYDRATES OF CERTAIN ALPHA, BETA-PROPRIONIC ACID DERIVATIVE Dr. Reddy's Laboratories Ltd. (IN) 2007-02-21 EP disclosed
WO-2006001795-A1 BASIC SALTS AND MONOHYDRATES OF CERTAIN ALPHA, BETA-PROPRIONIC ACID DERIVATIVE DR. REDDY'S LABORATORIES LIMITED (IN) 2006-01-05 WO disclosed
US-20050277693-A1 Basic salts and monohydrates of certain alpha, beta-propionic acid derivative DR. REDDY'S LABORATORIES LIMITED 2005-12-15 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-20050277693-A1 Basic salts and monohydrates of certain alpha, beta-propionic acid derivative SRM, PKD1, CA2 ALDH1A1 1421/4885POLB 3418/4885TSHR 3320/4885

“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.