SCHEMBL3584109

SCHEMBL3584109

O=c1oc2c3ccccc3ccc2c2occc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 6/20 0.49
HTT P42858 4/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49
ESR1 P03372 1/20 0.49
ARSA P15289 1/20 0.47
CDC25A P30304 1/20 0.47
CDC25C P30307 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
IKBKB O14920 1/20 0.46
HPGD P15428 6/20 0.45
MAPT P10636 4/20 0.45
CYP1A1 P04798 3/20 0.45
CYP1B1 Q16678 3/20 0.45
HSD17B10 Q99714 2/20 0.45
ABCG2 Q9UNQ0 2/20 0.45
CYP1A2 P05177 2/20 0.45
PRKDC P78527 2/20 0.45

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
SCHEMBL3081576 0.80 ARSA (0.56) ALDH1A1KDM4EHTTKMT2APOLB
SCHEMBL29627465 0.79 ALDH1A1 (0.54) ALDH1A1KDM4EHTTKMT2APOLB
SCHEMBL3617428 0.79 ALDH1A1 (0.54) ALDH1A1KDM4EHTTKMT2APOLB
SCHEMBL3585903 0.78 CES1 (0.48) ALDH1A1KDM4EKMT2APOLBTDP1
SCHEMBL17384172 0.77 HPRT1 (0.56) ALDH1A1KDM4EHTTKMT2AARSA
SCHEMBL17384169 0.77 HPRT1 (0.56) ALDH1A1KDM4EHTTKMT2AARSA
SCHEMBL3585905 0.75 ALDH1A1 (0.38) ALDH1A1KDM4EKMT2APOLBESR1
SCHEMBL3579721 0.74 LMNA (0.41) ALDH1A1KDM4EKMT2APOLBESR1
SCHEMBL7915211 0.74 KDM4E (0.61) ALDH1A1KDM4EHTTKMT2APOLB
SCHEMBL31360532 0.73 HPRT1 (0.44) ALDH1A1KDM4EHTTKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795299-B2 Neo-tanshinlactone and analogs as potent and selective anti-breast cancer agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-09-14 US disclosed
US-20090118356-A1 NEO-TANSHINLACTONE AND ANALOGS AS POTENT AND SELECTIVE ANTI-BREAST CANCER AGENTS NORTH CAROLINA STATE UNIVERSITY (US) 2009-05-07 US disclosed
EP-1722779-A4 NEO-TANSHINLACTONE AND ANALOGS AS POTENT AND SELECTIVE ANTI-BREAST CANCER AGENTS UNIV NORTH CAROLINA (US) 2009-05-06 EP disclosed
US-7495026-B2 Neo-tanshinlactone and analogs as potent and selective anti-breast cancer agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-02-24 US disclosed
EP-1722779-A1 NEO-TANSHINLACTONE AND ANALOGS AS POTENT AND SELECTIVE ANTI-BREAST CANCER AGENTS The University of North Carolina at Chapel Hill (US) 2006-11-22 EP disclosed
US-20050250751-A1 Neo-tanshinlactone and analogs as potent and selective anti-breast cancer agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-10 US disclosed
WO-2005087225-A1 NEO-TANSHINLACTONE AND ANALOGS AS POTENT AND SELECTIVE ANTI-BREAST CANCER AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-09-22 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 (2 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-20090118356-A1 NEO-TANSHINLACTONE AND ANALOGS AS POTENT AND SELECTIVE ANTI-BREAST CANCER AGENTS BRCA1, CYP19A1, HUNK ALDH1A1 1537/4885KDM4E 3729/4885HTT 3748/4885
US-20050250751-A1 Neo-tanshinlactone and analogs as potent and selective anti-breast cancer agents BRCA1, CYP19A1, CYP51A1 ALDH1A1 1521/4885KDM4E 3932/4885HTT 3909/4885

“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.