SCHEMBL6682986

SCHEMBL6682986

CCCCC(C)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.45
SLC6A3 Q01959 4/20 0.45
SLC6A4 P31645 3/20 0.45
ADRB2 P07550 1/20 0.45
C3AR1 Q16581 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP2 P08253 1/20 0.37
CA9 Q16790 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL6686877 0.94 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4ADRB2C3AR1
SCHEMBL6684287 0.92 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4ADRB2SMN1; SMN2
SCHEMBL6685021 0.89 RIPK1 (0.40)
SCHEMBL10274563 0.87 ADRB2 (0.48) SLC6A2SLC6A3SLC6A4ADRB2C3AR1
SCHEMBL30798706 0.83 ADRB2 (0.45) SLC6A2SLC6A3SLC6A4ADRB2C3AR1
SCHEMBL6678858 0.82 OPRM1 (0.44) ADRB2CA1
SCHEMBL1044613 0.82 ADRB2 (0.43) SLC6A2SLC6A3SLC6A4ADRB2C3AR1
SCHEMBL1044614 0.82 ADRB2 (0.43) SLC6A2SLC6A3ADRB2C3AR1SMN1; SMN2
SCHEMBL10420697 0.82 ADRB2 (0.43) SLC6A2SLC6A3SLC6A4ADRB2C3AR1
SCHEMBL12908530 0.82 ADRB2 (0.43) SLC6A2SLC6A3SLC6A4ADRB2C3AR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119462538-A Separation and purification method of myclobutanil 甘肃骐鹏生物科技有限公司 2025-02-18 CN claimed
CN-119462538-A Separation and purification method of myclobutanil 甘肃骐鹏生物科技有限公司 2025-02-18 CN disclosed
US-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-09-30 US disclosed
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-22 US disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP 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 (3 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-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT SLC6A2 669/4885SLC6A3 884/4885SLC6A4 535/4885
US-10399932-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT SLC6A2 1080/4885SLC6A3 1502/4885SLC6A4 874/4885
US-20180079712-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT SLC6A2 1080/4885SLC6A3 1502/4885SLC6A4 874/4885

“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.