SCHEMBL6312974

SCHEMBL6312974

CCCc1c(OC)cc(CCc2cc(OC)cc(OC)c2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 6/20 0.57
CYP19A1 P11511 1/20 0.49
PTPN1 P18031 1/20 0.47
NOS2 P35228 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47
AKR1B1 P15121 1/20 0.46

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
SCHEMBL8009626 0.86 CYP1A2 (0.44) CALM1ALDH1A1CYP3A4
SCHEMBL427550 0.82 CYP19A1 (0.55) CALM1CYP19A1AKR1B1PTGS2ALDH1A1
SCHEMBL918847 0.80 PTGS2 (0.59) PTGS2ALDH1A1CYP3A4HTR2AHTR2C
SCHEMBL6448298 0.80 HMGCR (0.41) CALM1CYP19A1PTPN1TUBB4ATUBB
SCHEMBL9491787 0.79 CYP19A1 (0.68) CALM1CYP19A1PTPN1NOS2TUBB4A
SCHEMBL930954 0.79 CYP1A1 (0.61) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL919069 0.79 CYP1A1 (0.61) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6449528 0.79 ALDH1A1 (0.40) CALM1CYP19A1PTPN1TUBB4ATUBB
SCHEMBL27947309 0.79 NPC1 (0.48) CALM1CYP19A1TUBB4ATUBBTUBA3C
SCHEMBL919348 0.79 PTGS2 (0.42) CYP19A1PTGS2ALDH1A1CYP3A4HTR2A

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-20050059733-A1 Anti-inflammatory and psoriasis treatment and protein kinase inhibition by hydroxy stilbenes and novel stilbene derivatives and analogues WELICHEM BIOTECH, INC. 2005-03-17 US claimed

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-20050059733-A1 Anti-inflammatory and psoriasis treatment and protein kinase inhibition by hydroxy stilbenes and novel stilbene derivatives and analogues NFKBIA, IKBKB, IKBKE CALM1 2044/4885CYP19A1 2924/4885PTPN1 507/4885

“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.