SCHEMBL2845831

SCHEMBL2845831

SCc1cccc2c(CS)cccc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.48
CYP1A2 P05177 4/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2D6 P10635 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ACP3 P15309 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
CYP2A6 P11509 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL2879124 0.94 IDO1 (0.50) IDO1CYP1A2CYP2C19CYP2C9CYP2D6
SCHEMBL11822029 0.88 IDO1 (0.48) IDO1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL28899 0.84 CYP1A2 (0.58) IDO1CYP1A2CYP2C19CYP2C9CYP2D6
SCHEMBL131470 0.82 HPRT1 (0.58) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL1110814 0.78 KDM4E (0.35) IDO1ALDH1A1HPGDTSHRHSD17B10
SCHEMBL17756341 0.78 IDO1 (0.41) IDO1CYP1A2CYP2C19CYP2C9CYP2D6
SCHEMBL20710913 0.78 IDO1 (0.36) IDO1CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL12405309 0.77 CHRM2 (0.34) IDO1ALDH1A1
SCHEMBL1110135 0.77 KDM4E (0.42) CYP2C9ALDH1A1HPGDTSHR
SCHEMBL29365799 0.76 IDO1 (0.63) IDO1CYP1A2CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10344005-B2 Synthesis of cyclophanes for a self-assembly reaction UNIVERSITY OF OREGON (US) 2019-07-09 US disclosed
US-9790192-B2 Synthesis of cyclophanes from a self-assembly reaction UNIVERSITY OF OREGON (US) 2017-10-17 US disclosed
US-20160137598-A1 SYNTHESIS OF CYCLOPHANES FROM A SELF-ASSEMBLY REACTION UNIVERSITY OF OREGON (US) 2016-05-19 US disclosed
US-20160137598-A1 SYNTHESIS OF CYCLOPHANES FROM A SELF-ASSEMBLY REACTION UNIVERSITY OF OREGON (US) 2016-05-19 US disclosed
US-20100147768-A1 RENEWABLE SORBENT MATERIAL AND METHOD OF USE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF UNIVERSITY 2010-06-17 US disclosed
US-20100147768-A1 RENEWABLE SORBENT MATERIAL AND METHOD OF USE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF UNIVERSITY 2010-06-17 US disclosed
US-20100147768-A1 RENEWABLE SORBENT MATERIAL AND METHOD OF USE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF UNIVERSITY 2010-06-17 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 (2 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-10344005-B2 Synthesis of cyclophanes for a self-assembly reaction TST, CTH, CBS IDO1 1189/4885CYP1A2 721/4885CYP2C19 1602/4885
US-20160137598-A1 SYNTHESIS OF CYCLOPHANES FROM A SELF-ASSEMBLY REACTION TST, CTH, CBS IDO1 1121/4885CYP1A2 701/4885CYP2C19 1621/4885

“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.