SCHEMBL3584662

SCHEMBL3584662

Cc1coc2c1c(=O)oc1c3ccccc3c(Cl)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.53
ESR2 Q92731 4/20 0.41
ESR1 P03372 2/20 0.41
KCNA3 P22001 4/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
ALDH2 P05091 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.35
THRB P10828 1/20 0.35
IKBKB O14920 1/20 0.35
AHR P35869 2/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL3585460 0.81 CES1 (0.51) CES1ESR2ESR1KCNA3BCHE
SCHEMBL31237486 0.78 CES1 (0.78) CES1ESR2ESR1KCNA3BCHE
SCHEMBL12115014 0.78 CES1 (0.78) CES1ESR2ESR1KCNA3BCHE
SCHEMBL3584746 0.77 CES1 (0.59) CES1ESR2ESR1BCHEACHE
SCHEMBL3580678 0.77 CES1 (0.59) CES1ESR2ESR1BCHEACHE
SCHEMBL3579721 0.74 LMNA (0.41) ESR2ESR1LMNAKDM4EALDH1A1
SCHEMBL30979544 0.65 AKR1B1 (0.35) ESR2ESR1LMNAALDH1A1AHR
SCHEMBL22655415 0.65 AKR1B1 (0.35) ESR2ESR1LMNAALDH1A1AHR
SCHEMBL22892616 0.65 AHR (0.46) KMT2AAHR
SCHEMBL3583349 0.64 CA12 (0.54) LMNAKDM4EALDH1A1HPGDKMT2A

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 4 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
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
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

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 CES1 2230/4885ESR2 28/4885ESR1 347/4885
US-20050250751-A1 Neo-tanshinlactone and analogs as potent and selective anti-breast cancer agents BRCA1, CYP19A1, CYP51A1 CES1 1629/4885ESR2 54/4885ESR1 427/4885

“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.