SCHEMBL7533870

SCHEMBL7533870

C=CN(C)C1CCCCCC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 10/20 0.58
ADH1C P00326 7/20 0.58
ADH1B P00325 1/20 0.37
FAAH O00519 1/20 0.37
PHGDH O43175 1/20 0.37
MGLL Q99685 1/20 0.37
ALDH1A1 P00352 1/20 0.34
ADH4 P08319 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL7534361 1.00 ADH1A (0.58) ADH1AADH1CADH1BFAAHPHGDH
SCHEMBL1535987 1.00 ADH1A (0.58) ADH1AADH1CADH1BFAAHPHGDH
SCHEMBL7536596 1.00 ADH1A (0.58) ADH1AADH1CADH1BFAAHPHGDH
SCHEMBL7539629 0.97
SCHEMBL12890024 0.95
SCHEMBL12890023 0.86
SCHEMBL25645544 0.75 PIK3CD (0.42) ADH1AADH1C
SCHEMBL19500890 0.75 ADH1C (0.33) ADH1AADH1C
SCHEMBL11832867 0.74 ADH1A (0.58) ADH1AADH1CADH1BFAAHPHGDH
SCHEMBL772457 0.74 ADH1A (1.00) ADH1AADH1CADH1BFAAHPHGDH

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
EP-3632897-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2020-04-08 EP disclosed
EP-1223161-A2 Method to stabilise and/or lower the color number of alkenyl compounds BASF AKTIENGESELLSCHAFT (DE) 2002-07-17 EP disclosed
US-20020091254-A1 Stabilizing and/or lowering the color number of alkenyl compounds BASF AKTIENGESELLSCHAFT (DE) 2002-07-11 US disclosed
US-6384216-B1 CARRYING OUT TWO DISTILLATIONS IN WHICH THE PURIFIED ALKENYL COMPOUNDS OBTAINED FROM GAS PHASE BY CONDENSATION, WHERE THE TIME BETWEEN FIRST DISTILLATION AFTER SYNTHESIS OF ALKENYL COMPOUNDS AND FURTHER DISTILLATION BASF AKTIENGESELLSCHAFT (DE) 2002-05-07 US disclosed
US-20020038059-A1 PURIFICATION OF ALKENYL COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-03-28 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-20020091254-A1 Stabilizing and/or lowering the color number of alkenyl compounds SOD1, NOX4, CAT ADH1A 949/4885ADH1C 1630/4885ADH1B 306/4885
US-20020038059-A1 PURIFICATION OF ALKENYL COMPOUNDS TPR, AGPAT5, PCNA ADH1A 162/4885ADH1C 774/4885ADH1B 1927/4885

“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.