SCHEMBL31419786

SCHEMBL31419786

O=c1ccc2ccc3ccccc3c2o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
LMNA P02545 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
MCL1 Q07820 2/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA3 P07451 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
SOST Q9BQB4 1/20 0.54
CA14 Q9ULX7 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
NFKB1 P19838 1/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
CYP2A6 P11509 2/20 0.52

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
SCHEMBL30068472 1.00 KMT2A (0.58) KMT2ALMNATDP1MCL1CA12
SCHEMBL2725231 1.00 KMT2A (0.58) KMT2ALMNATDP1MCL1CA12
SCHEMBL5189602 0.90 HPRT1 (0.54) KMT2ALMNATDP1MCL1CA12
SCHEMBL5188736 0.86 KMT2A (0.49) KMT2ALMNATDP1MCL1CA12
SCHEMBL7755371 0.80 TDP1 (0.56) KMT2ALMNATDP1MCL1CA12
SCHEMBL14424528 0.76 KMT2A (0.70) KMT2AALDH1A1HPGDHSD17B10KDM4E
SCHEMBL30524350 0.76 CYP2A6 (0.58) LMNATDP1MCL1CA12CA1
SCHEMBL3362663 0.75 TDP1 (0.61) LMNATDP1MCL1CA12CA1
SCHEMBL30450770 0.75 TDP1 (0.61) LMNATDP1MCL1CA12CA1
SCHEMBL30588914 0.75 TDP1 (0.61) LMNATDP1MCL1CA12CA1

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-20250090479-A1 COMPOSITIONS FOR TREATING ACNE AND DERMATOLOGICAL CONDITIONS IIera Derm LLC 2025-03-20 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-20250090479-A1 COMPOSITIONS FOR TREATING ACNE AND DERMATOLOGICAL CONDITIONS COQ8A, ATP5ME, AGK KMT2A 3141/4885LMNA 3710/4885TDP1 1945/4885

“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.