SCHEMBL11596247

SCHEMBL11596247

CC(C)(Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.67
ESR1 P03372 8/20 0.59
ESR2 Q92731 7/20 0.53
CA2 P00918 2/20 0.48
CAMK2A Q9UQM7 1/20 0.48
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
EGFR P00533 1/20 0.43
CYP1A2 P05177 1/20 0.43
FYN P06241 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL27925093 0.85 ESR1 (0.56) BLMESR1ESR2MEN1ALDH1A1
SCHEMBL6668736 0.83 BLM (0.52) BLMESR1MEN1ALDH1A1CYP3A4
SCHEMBL4457891 0.83 BLM (0.47) BLMALDH1A1KMT2AKDM4ECYP1A2
SCHEMBL5004593 0.83 BLM (0.67) BLMESR1ESR2CA2CAMK2A
SCHEMBL517462 0.83 SMN1; SMN2 (0.57) BLMALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL5394972 0.82 PPARG (0.49) BLMCYP3A4KDM4ECYP1A2POLB
SCHEMBL6469200 0.82 GRN (0.54) BLMMEN1CYP3A4KMT2AKDM4E
SCHEMBL10973409 0.82 BLM (0.46) BLMESR1CA2MEN1ALDH1A1
SCHEMBL5149405 0.82 BLM (0.46) BLMMEN1ALDH1A1CYP3A4KMT2A
SCHEMBL13809480 0.82 BLM (0.65) BLMESR1ESR2CA2CAMK2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-08-17 US disclosed
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION COMMISSARIAT ENERGIE ATOMIQUE (FR) 2016-03-24 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
US-4080471-A ANTIARRYTHMIA AKTIEBOLAGET HASSLE (SW) 1978-03-21 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-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION HAVCR2, MAVS, ANTXR2 BLM 3523/4885ESR1 3513/4885ESR2 3216/4885
US-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action HAVCR2, MAVS, ANTXR2 BLM 3523/4885ESR1 3513/4885ESR2 3216/4885

“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.