SCHEMBL5077290

SCHEMBL5077290

COc1cccc(CCCC(C(=O)O)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.53
MTNR1B P49286 4/20 0.53
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48

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
SCHEMBL13100656 0.92 MTNR1A (0.49) MTNR1AMTNR1BHDAC1HDAC6
SCHEMBL6050076 0.86 MTNR1A (0.49) MTNR1AMTNR1BHDAC1HDAC6
SCHEMBL6667447 0.85 AKR1C3 (0.50) MTNR1AMTNR1BHDAC1HDAC6
SCHEMBL10202967 0.83 MTNR1A (0.54) MTNR1AMTNR1B
SCHEMBL28820181 0.82 MTNR1A (0.57) MTNR1AMTNR1BHDAC1HDAC6SIGMAR1
SCHEMBL28020307 0.82 MTNR1A (0.57) MTNR1AMTNR1BHDAC1HDAC6SIGMAR1
SCHEMBL14286887 0.82 CYSLTR2 (0.58) MTNR1AMTNR1BHDAC1HDAC6CHRM2
SCHEMBL11419614 0.82 MTNR1A (0.46) MTNR1AMTNR1BCHRM3
SCHEMBL10596068 0.82 AKR1C3 (0.49) MTNR1AMTNR1B
SCHEMBL1858307 0.82 MTNR1A (0.53) MTNR1AMTNR1BHDAC1HDAC6SIGMAR1

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-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 MTNR1A 757/4885MTNR1B 987/4885HDAC1 2857/4885

“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.