SCHEMBL13330654

SCHEMBL13330654

Cc1ccc2c3ccc(C)cc3c3nc(-c4ccccc4)c(-c4ccccc4)nc3c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.58
▸ KDM4E B2RXH2 7/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ MAPT P10636 5/20 0.54
▸ LMNA P02545 3/20 0.54
▸ TDP1 Q9NUW8 1/20 0.52
▸ DHODH Q02127 1/20 0.47
▸ TP53 P04637 2/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ TBXA2R P21731 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ MAOA P21397 1/20 0.45
▸ HSD17B10 Q99714 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL13330652 0.93 ALDH1A1 (0.58) ALDH1A1KDM4EL3MBTL1MAPTLMNA
SCHEMBL13020034 0.83 TDP1 (0.63) ALDH1A1KDM4EL3MBTL1MAPTLMNA
SCHEMBL16204069 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1MAPTLMNA
SCHEMBL14923033 0.79 KDM4E (0.64) ALDH1A1KDM4EL3MBTL1MAPTLMNA
SCHEMBL13330658 0.79 NQO2 (0.57) ALDH1A1KDM4EL3MBTL1MAPTLMNA
SCHEMBL6758121 0.78 DHFR (0.47) ALDH1A1KDM4EL3MBTL1MAPTLMNA
SCHEMBL18562426 0.75 MEN1 (0.47) ALDH1A1KDM4EL3MBTL1MAPTLMNA
SCHEMBL17358402 0.75 BCHE (0.56) ALDH1A1KDM4EL3MBTL1MAPTLMNA
SCHEMBL14211983 0.74 KDM4E (0.45) ALDH1A1KDM4EL3MBTL1MAPTLMNA
SCHEMBL16543285 0.74 KDM4E (0.45) ALDH1A1KDM4EL3MBTL1MAPTLMNA

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-9353065-B2 Heterocyclic bridged biphenyls BASF SE (DE) 2016-05-31 — — US disclosed
US-20100109514-A1 HETEROCYCLIC BRIDGED BIPHENYLS UDC IRELAND LIMITED (IE) 2010-05-06 — — 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-20100109514-A1 HETEROCYCLIC BRIDGED BIPHENYLS OCIAD1, SBDS, OCIAD2 ALDH1A1 358/4885KDM4E 3206/4885L3MBTL1 1751/4885

“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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