SCHEMBL5081017

SCHEMBL5081017

COc1cccc(/C=C/C=C(\C(=O)O)c2ccccc2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.71
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
BCHE P06276 1/20 0.63
MAOB P27338 3/20 0.56
FOS P01100 1/20 0.52
JUN P05412 1/20 0.52
MAPT P10636 2/20 0.52
CYP1A1 P04798 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP1B1 Q16678 2/20 0.49
CYP3A4 P08684 1/20 0.49
POLB P06746 1/20 0.49
MAOA P21397 1/20 0.49
NFE2L2 Q16236 2/20 0.49
EGFR P00533 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
RELA Q04206 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL29964493 0.82 FOS (0.56) ALDH1A1MEN1KMT2ABCHEMAOB
SCHEMBL20424923 0.82 FOS (0.56) ALDH1A1MEN1KMT2ABCHEMAOB
SCHEMBL4817475 0.81 AKR1C1 (0.60) ALDH1A1MEN1KMT2ABCHEMAOB
SCHEMBL1901012 0.81 AKR1C1 (0.60) ALDH1A1MEN1KMT2ABCHEMAOB
SCHEMBL5787713 0.78 FOS (0.52) ALDH1A1MEN1KMT2ABCHEMAOB
SCHEMBL7592868 0.77 RELA (0.70) ALDH1A1MEN1KMT2ABCHEMAPT
SCHEMBL7592867 0.77 RELA (0.70) ALDH1A1MEN1KMT2ABCHEMAPT
SCHEMBL28577971 0.77 KMT2A (0.83) ALDH1A1MEN1KMT2ABCHEMAOB
SCHEMBL8987299 0.77 BCHE (1.00) ALDH1A1MEN1KMT2ABCHEMAOB
SCHEMBL8987297 0.77 BCHE (1.00) ALDH1A1MEN1KMT2ABCHEMAOB

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-7321044-B2 Synthesis of oxygen-substituted benzocycloheptenes as valuable intermediate products for the production of tissue-selective estrogens SCHERING AKTIENGESELLSCHAFT (DE) 2008-01-22 US disclosed
US-7321044-B2 Synthesis of oxygen-substituted benzocycloheptenes as valuable intermediate products for the production of tissue-selective estrogens SCHERING AKTIENGESELLSCHAFT (DE) 2008-01-22 US disclosed
EP-1436254-A1 SYNTHESIS OF OXYGEN-SUBSTITUTED BENZOCYCLOHEPTENES, USED AS VALUABLE INTERMEDIATE PRODUCTS FOR PRODUCING TISSUE-SELECTIVE OESTROGENS Schering Aktiengesellschaft (DE) 2004-07-14 EP disclosed
US-20030162974-A1 Synthesis of oxygen-substituted benzocycloheptenes as valuable intermediate products for the production of tissue-selective estrogens SCHERING AG (DE) 2003-08-28 US disclosed
WO-2003033461-A1 SYNTHESIS OF OXYGEN-SUBSTITUTED BENZOCYCLOHEPTENES, USED AS VALUABLE INTERMEDIATE PRODUCTS FOR PRODUCING TISSUE-SELECTIVE OESTROGENS SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-24 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-20030162974-A1 Synthesis of oxygen-substituted benzocycloheptenes as valuable intermediate products for the production of tissue-selective estrogens CYP19A1, HSD17B11, SULT1E1 ALDH1A1 243/4885MEN1 2672/4885KMT2A 2439/4885

“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.