SCHEMBL7042910

SCHEMBL7042910

COc1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.72
▸ ESR1 P03372 4/20 0.71
▸ ESR2 Q92731 4/20 0.71
▸ PTGS1 P23219 1/20 0.71
▸ KDM4E B2RXH2 2/20 0.55
▸ MAPT P10636 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MAPK14 Q16539 4/20 0.52
▸ MAPK13 O15264 3/20 0.52
▸ MAPK12 P53778 3/20 0.52
▸ MAPK11 Q15759 3/20 0.52
▸ TUBB4A P04350 1/20 0.51
▸ TUBB P07437 1/20 0.51
▸ TUBA3C P0DPH7 1/20 0.51
▸ TUBA1B P68363 1/20 0.51
▸ TUBA4A P68366 1/20 0.51

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
SCHEMBL7039067 1.00 PTGS2 (0.72) PTGS2ESR1ESR2PTGS1KDM4E
Indoxole SCHEMBL29519430 0.97 PTGS2 (0.76) PTGS2ESR1ESR2PTGS1KDM4E
Indoxole SCHEMBL42592 0.97 PTGS2 (0.76) PTGS2ESR1ESR2PTGS1KDM4E
SCHEMBL18160179 0.89 PTGS2 (0.67) PTGS2ESR1ESR2PTGS1KDM4E
SCHEMBL15057905 0.89 PTGS2 (0.60) PTGS2ESR1ESR2PTGS1KDM4E
SCHEMBL7039642 0.89 ESR2 (0.77) PTGS2ESR1ESR2PTGS1KDM4E
SCHEMBL28725718 0.88 PTGS2 (0.59) PTGS2ESR1ESR2PTGS1KDM4E
SCHEMBL29541073 0.88 PTGS2 (0.59) PTGS2ESR1ESR2PTGS1KDM4E
SCHEMBL15060149 0.86 ALDH1A1 (0.61) PTGS2ESR1ESR2PTGS1KDM4E
SCHEMBL16382923 0.86 PTGS2 (0.65) PTGS2ESR1ESR2PTGS1KDM4E

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-20030220377-A1 Indole compounds and their use as estrogen agonists/antagonists CHESWORTH RICHARD (US) 2003-11-27 — — US claimed
US-20030220377-A1 Indole compounds and their use as estrogen agonists/antagonists CHESWORTH RICHARD (US) 2003-11-27 — — 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-20030220377-A1 Indole compounds and their use as estrogen agonists/antagonists ESR1, GPER1, ESR2 PTGS2 735/4885ESR1 1/4885ESR2 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.

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