SCHEMBL16339665

SCHEMBL16339665

C1=C(C2CCCCC2)c2ccccc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.46
PTPRC P08575 1/20 0.46
PTPRF P10586 1/20 0.46
CDC25B P30305 1/20 0.46
CYP2A6 P11509 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
HTR6 P50406 1/20 0.34
PTGS2 P35354 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
MC4R P32245 1/20 0.33

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
SCHEMBL27546304 0.98 PTPN1 (0.44) PTPN1PTPRCPTPRFCDC25BCYP2A6
SCHEMBL16393502 0.90 HTR6 (0.37) PTPN1PTPRCPTPRFCDC25BMAOA
SCHEMBL15551111 0.86 PTPN1 (0.53) PTPN1PTPRCPTPRFCDC25BCYP2A6
SCHEMBL9636881 0.81 SLC18A3 (0.46) BCHEACHEHTR6
SCHEMBL4131664 0.80 CES1 (0.38) PTPN1PTPRCPTPRFCDC25BCYP2A6
SCHEMBL8900291 0.74 NPC1 (0.39) PTPN1PTPRCPTPRFCDC25BCYP2A6
SCHEMBL18194975 0.73 DRD2 (0.44) ACHEHTR6DRD2DRD4
SCHEMBL4055026 0.72 MAPT (0.38) PTPN1PTPRCPTPRFCDC25BACHE
SCHEMBL27427082 0.72 CHRM5 (0.40) CYP2A6SMN1; SMN2CHRM2CHRM4CHRM5
SCHEMBL18440342 0.71 CES1 (0.39) PTPN1CYP2A6MAOAMAOBL3MBTL1

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-10774060-B2 Oxone-aceton mediated metal free preparation of syn-diols COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-09-15 US disclosed
US-20160168114-A1 Oxone-Aceton Mediated Metal Free Preparation of Syn-Diols COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-16 US disclosed
WO-2014207766-A1 OXONE-ACETONE MEDIATED METAL FREE PREPARATION OF SYN-DIOLS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-31 WO disclosed
CN-1277618-A Process for the preparation of substantially amorphous alpha-olefin polymers, compositions containing them and process for the preparation of bridged ligand MONTELL TECHNOLOGY COMPANY BV (NL) 2000-12-20 CN 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-20160168114-A1 Oxone-Aceton Mediated Metal Free Preparation of Syn-Diols SQLE, OXER1, OXA1L PTPN1 4743/4885PTPRC 3767/4885PTPRF 3765/4885
US-10774060-B2 Oxone-aceton mediated metal free preparation of syn-diols SQLE, OXER1, OXA1L PTPN1 4743/4885PTPRC 3767/4885PTPRF 3765/4885

“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.