SCHEMBL6279313

SCHEMBL6279313

O=C(O)c1ccc(CCc2cc(Cl)cc(Br)c2OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.52
THRB P10828 3/20 0.52
PTGER1 P34995 2/20 0.49
PTGER4 P35408 1/20 0.49
PTGER3 P43115 1/20 0.49
PTGER2 P43116 1/20 0.49
RXRA P19793 4/20 0.49
RXRB P28702 4/20 0.49
RXRG P48443 2/20 0.49
HPGD P15428 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
NR4A2 P43354 3/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
MRGPRX4 Q96LA9 2/20 0.46
SRD5A2 P31213 1/20 0.44
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6273400 0.99 THRA (0.51) THRATHRBPTGER1PTGER4PTGER3
SCHEMBL6275606 0.91 THRA (0.56) THRATHRBRXRARXRBRXRG
SCHEMBL6273976 0.90 THRA (0.49) THRATHRBHPGDTSHRSMN1; SMN2
SCHEMBL6273397 0.90 PTGER1 (0.49) THRATHRBPTGER1PTGER4PTGER3
SCHEMBL6275841 0.89 NR4A2 (0.55) THRATHRBPTGER4PTGER2RXRA
SCHEMBL6275455 0.89 THRA (0.57) THRATHRBRXRARXRBRXRG
SCHEMBL6275582 0.89 THRA (0.47) THRATHRBPTGER1PTGER4PTGER3
SCHEMBL6275621 0.88 NR4A2 (0.41) THRATHRBPTGER1PTGER4PTGER3
SCHEMBL6275567 0.88 MAOA (0.44) THRATHRBRXRARXRBRXRG
SCHEMBL6274199 0.88 NR4A2 (0.41) THRATHRBPTGER4PTGER2RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170143733-A1 COMPOUNDS AND METHODS FOR SKIN REPAIR ALLERGAN, INC. 2017-05-25 US disclosed
US-20170143733-A1 COMPOUNDS AND METHODS FOR SKIN REPAIR ALLERGAN, INC. 2017-05-25 US disclosed
US-20140142092-A1 COMPOUNDS AND METHODS FOR SKIN REPAIR ALLERGAN, INC. (US) 2014-05-22 US disclosed
US-20140142092-A1 COMPOUNDS AND METHODS FOR SKIN REPAIR ALLERGAN, INC. (US) 2014-05-22 US disclosed
WO-2005116010-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK FROSST CANADA LTD. (CA) 2005-12-08 WO 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-20140142092-A1 COMPOUNDS AND METHODS FOR SKIN REPAIR PTGER4, PTGER2, PTGER1 THRA 3100/4885THRB 2250/4885PTGER1 3/4885
US-20170143733-A1 COMPOUNDS AND METHODS FOR SKIN REPAIR PTGER4, PTGER2, PTGER1 THRA 3100/4885THRB 2250/4885PTGER1 3/4885

“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.