SCHEMBL18288189

SCHEMBL18288189

Cc1ccc2c(c1)C(C)(CCCCCC(=O)O)C(C)N2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
TSHR P16473 1/20 0.38
TBXA2R P21731 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER2 P43116 1/20 0.36
PPARG P37231 2/20 0.35
ABL1 P00519 1/20 0.35
IDE P14735 1/20 0.35
RIN1 Q13671 1/20 0.35
NR2E3 Q9Y5X4 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
KMT2A Q03164 2/20 0.34
AKR1B1 P15121 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PPARA Q07869 1/20 0.33
CCR2 P41597 1/20 0.33

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
SCHEMBL10126573 0.72 APEX1 (0.45) GAATSHRKMT2AKDM4EALDH1A1
SCHEMBL19104605 0.72 APEX1 (0.45) GAATSHRKMT2AKDM4EALDH1A1
SCHEMBL1714853 0.71 CASP6 (0.35) TBXA2RKMT2AKDM4EALDH1A1MEN1
Bromide SCHEMBL28558479 0.69 TSHR (0.43) GAATSHRPPARGKMT2AAKR1B1
SCHEMBL7602622 0.68 ALDH1A1 (0.40) GAATSHRPPARGKMT2AKDM4E
SCHEMBL10111020 0.68 GPR84 (0.46) TSHRPPARGKMT2AAKR1B1ALDH1A1
SCHEMBL12012034 0.68 TSHR (0.38) GAATSHRPPARGKMT2AKDM4E
P-Xylene SCHEMBL36101 0.67 TSHR (0.60) TSHRPPARGKMT2AALDH1A1LMNA
Sebacic Acid SCHEMBL36102 0.67 TSHR (0.60) TSHRPPARGKMT2AALDH1A1LMNA
Azelaic Acid SCHEMBL3807504 0.67 TSHR (0.60) TSHRPPARGKMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160356681-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES Life Technologies Corporation 2016-12-08 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-20160356681-A1 MODIFIED CARBOCYANINE DYES AND THEIR CONJUGATES IK, CBR3, DRD5 GAA 4104/4885TSHR 2666/4885TBXA2R 3668/4885

“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.