SCHEMBL6841581

SCHEMBL6841581

COc1cccc(C2(c3cccc(OC)c3)[CH]C2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.54
ACHE P22303 1/20 0.47
KMT2A Q03164 2/20 0.46
ADAM17 P78536 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CYP3A4 P08684 1/20 0.45
SLC6A4 P31645 2/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
CHRNA1 P02708 1/20 0.43
CHRNG P07510 1/20 0.43
CHRNB1 P11230 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
SCHEMBL27791466 0.78 NFE2L2 (0.46) KDM1AALDH1A1OPRM1OPRL1
SCHEMBL6448504 0.76 KDM1A (0.54) KDM1AACHEKMT2AALDH1A1CA1
SCHEMBL4573102 0.74 KDM1A (0.53) KDM1AACHEKMT2AALDH1A1CA1
SCHEMBL31557718 0.74 OPRM1 (0.64) KDM1AKMT2AALDH1A1SLC6A4SLC6A2
SCHEMBL3159689 0.74 KDM1A (0.57) KDM1AACHEKMT2AALDH1A1CA1
SCHEMBL28425450 0.73 CA1 (0.52) KDM1AACHEKMT2AALDH1A1CA1
SCHEMBL11162269 0.73 SLC6A2 (0.55) KDM1AACHEKMT2AALDH1A1CA1
Hydrochloric Acid SCHEMBL18742400 0.73 KDM1A (0.56) KDM1AACHEKMT2AALDH1A1CYP3A4
1,3-Dimethoxybenzene SCHEMBL901285 0.72 ACHE (0.70) ACHEALDH1A1CA1CA2CA7
1,3-Dimethoxybenzene SCHEMBL9350 0.72 ACHE (0.70) ACHEALDH1A1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266802-A1 Tricyclic analgesics CALVET ALAIN (US) 2004-12-30 US disclosed
EP-1235808-A2 TRICYCLIC ANALGESICS WARNER-LAMBERT COMPANY (US) 2002-09-04 EP disclosed
WO-2000075116-A2 TRICYCLIC ANALGESICS WARNER-LAMBERT COMPANY (US) 2000-12-14 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 (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-20040266802-A1 Tricyclic analgesics OPRM1, OPRL1, OPRD1 KDM1A 2655/4885ACHE 332/4885KMT2A 2522/4885

“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.