SCHEMBL7069599

SCHEMBL7069599

COc1ccc(-c2c(C=O)ccc(OC)c2Cc2cc(C=O)ccc2OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
ALDH1A1 P00352 11/20 0.43
ERN1 O75460 1/20 0.42
TSHR P16473 1/20 0.42
CYP2A6 P11509 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
FDPS P14324 1/20 0.41
AOX1 Q06278 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TTR P02766 1/20 0.39
CYP1A1 P04798 1/20 0.38
NFE2L2 Q16236 1/20 0.38

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
SCHEMBL7073794 0.76 MAOA (0.48) ALDH1A1ERN1NPC1RAB9ATDP1
SCHEMBL24489133 0.72 ALDH1A1 (0.65) CYP1A2ALDH1A1TSHRCYP2A6MAPT
SCHEMBL28803580 0.72 ALDH1A1 (0.53) CYP1A2ALDH1A1ERN1CYP2A6MAPT
SCHEMBL13078747 0.71 ERN1 (0.60) CYP1A2ALDH1A1ERN1LMNACYP2C9
SCHEMBL3920869 0.70 ALDH1A1 (0.58) ALDH1A1ERN1TSHRCYP2A6MAPT
SCHEMBL7072441 0.70 ERN1 (0.46) ALDH1A1ERN1MAPTMEN1HPGD
SCHEMBL29957052 0.70 ALDH1A1 (0.66) CYP1A2ALDH1A1TSHRMAPTRXFP1
SCHEMBL2432443 0.70 ALDH1A1 (0.66) CYP1A2ALDH1A1TSHRMAPTRXFP1
SCHEMBL2871306 0.69 NPC1 (0.52) CYP1A2ALDH1A1TSHRCYP2A6MAPT
3,4-Dimethoxybenzaldehyde SCHEMBL17888881 0.68 ALDH1A1 (0.81) CYP1A2ALDH1A1TSHRCYP2A6MAPT

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-20030092685-A1 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases NITZ THEODORE J (US) 2003-05-15 US disclosed
US-6495580-B1 A BENZYLIDENE DERIVATIVE CONTAINING HETEROCYCLIC RING IS USEFUL AS PNEUMOVIRUS INHIBITOR VIROPHARMA INCORPORATED 2002-12-17 US disclosed
EP-1051169-A4 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2002-05-29 EP disclosed
EP-1051169-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2000-11-15 EP disclosed
WO-1999038508-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 1999-08-05 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 (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-20030092685-A1 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases TTPA, HAVCR2, PML CYP1A2 1085/4885ALDH1A1 3369/4885ERN1 3269/4885

“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.