SCHEMBL3370588

SCHEMBL3370588

CN(CCC(=O)O)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR1 O14842 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LTA4H P09960 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
AKR1B1 P15121 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP1A2 P05177 2/20 0.39
ESR1 P03372 1/20 0.38
CXCL8 P10145 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL27034290 0.90 FFAR4 (0.42) HTTPOLBKMT2ALTA4HRXRA
SCHEMBL13948753 0.82 KMT2A (0.46) SLC6A2SLC6A4KMT2ALTA4HRXRA
SCHEMBL3730851 0.82 UTS2R (0.44) SLC6A2SLC6A4POLBKMT2AKDM4E
SCHEMBL26488721 0.79 TP53 (0.41) KMT2AFFAR1LTA4H
SCHEMBL10445124 0.78 TAAR1 (0.41) HTTSLC6A2SLC6A4KMT2AKDM4E
Hydrochloric Acid SCHEMBL9553902 0.78 TP53 (0.40) KMT2AFFAR1LTA4H
SCHEMBL27242802 0.78 HDAC3 (0.42) POLBKMT2ASIGMAR1ESR1
SCHEMBL2637695 0.76 TP53 (0.47) KMT2ALTA4H
SCHEMBL10959342 0.74 ALDH1A1 (0.46) KMT2AHPGD
SCHEMBL10959333 0.74 ALDH1A1 (0.46) KMT2AHPGD

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-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 US disclosed
US-4234483-A COLORFASTNESS; BRIGHTNESS AMERICAN COLOR & CHEMICAL CORPORATION (US) 1980-11-18 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-20100160369-A1 S1P1 Agonists and Methods of Making And Using S1PR1, S1PR5, S1PR3 HTT 4253/4885SLC6A2 1200/4885SLC6A4 1224/4885

“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.