SCHEMBL16177286

SCHEMBL16177286

C=CCC(CCCC)OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ DNM1 Q05193 2/20 0.31
▸ TUBB4A P04350 3/20 0.31
▸ TUBB P07437 3/20 0.31
▸ TUBA3C P0DPH7 3/20 0.31
▸ TUBA1B P68363 3/20 0.31
▸ TUBA4A P68366 3/20 0.31
▸ TUBB4B P68371 3/20 0.31
▸ TUBB3 Q13509 3/20 0.31
▸ TUBB2A Q13885 3/20 0.31
▸ TUBB8 Q3ZCM7 3/20 0.31
▸ TUBA3E Q6PEY2 3/20 0.31
▸ TUBA1A Q71U36 3/20 0.31
▸ TUBA1C Q9BQE3 3/20 0.31
▸ TUBB6 Q9BUF5 3/20 0.31
▸ TUBB2B Q9BVA1 3/20 0.31

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
SCHEMBL997186 0.92 TSHR (0.41) TSHRALDH1A1DNM1PRKD3PRKCG
SCHEMBL1723662 0.92 TSHR (0.41) TSHRALDH1A1DNM1PRKD3PRKCG
SCHEMBL4349371 0.86 — —
SCHEMBL2525472 0.84 TSHR (0.39) TSHRALDH1A1SMN1; SMN2DNM1
SCHEMBL798042 0.84 TSHR (0.39) TSHRALDH1A1SMN1; SMN2DNM1
SCHEMBL1454561 0.83 TUBB4A (0.31) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3810754 0.81 TSHR (0.36) TSHRALDH1A1SMN1; SMN2DNM1
SCHEMBL1158829 0.81 TSHR (0.36) TSHRALDH1A1CA1CA2SMN1; SMN2
SCHEMBL6838265 0.81 TSHR (0.36) TSHRALDH1A1SMN1; SMN2DNM1
SCHEMBL15210243 0.81 TSHR (0.36) TSHRALDH1A1SMN1; SMN2DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112640897-A Granulation method of high-density spherical pesticide water dispersible granules 镇江先锋植保科技有限公司 2021-04-13 — — CN claimed
CN-112588200-A Granulation method of low-density pesticide water dispersible granules 镇江先锋植保科技有限公司 2021-04-02 — — CN claimed
CN-112244030-A Soybean field weeding composition 镇江先锋植保科技有限公司 2021-01-22 — — CN claimed
CN-112640897-A Granulation method of high-density spherical pesticide water dispersible granules 镇江先锋植保科技有限公司 2021-04-13 — — CN disclosed
CN-112588200-A Granulation method of low-density pesticide water dispersible granules 镇江先锋植保科技有限公司 2021-04-02 — — CN disclosed
CN-112244030-A Soybean field weeding composition 镇江先锋植保科技有限公司 2021-01-22 — — CN disclosed
US-9586883-B2 Aldehyde-selective wacker-type oxidation of unbiased alkenes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-03-07 — — US disclosed
US-9586883-B2 Aldehyde-selective wacker-type oxidation of unbiased alkenes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-03-07 — — US disclosed
US-9586883-B2 Aldehyde-selective wacker-type oxidation of unbiased alkenes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-03-07 — — US disclosed
US-20140316149-A1 ALDEHYDE-SELECTIVE WACKER-TYPE OXIDATION OF UNBIASED ALKENES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-23 — — US disclosed
US-20140316149-A1 ALDEHYDE-SELECTIVE WACKER-TYPE OXIDATION OF UNBIASED ALKENES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-23 — — US disclosed
US-20140316149-A1 ALDEHYDE-SELECTIVE WACKER-TYPE OXIDATION OF UNBIASED ALKENES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-23 — — 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 (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-20140316149-A1 ALDEHYDE-SELECTIVE WACKER-TYPE OXIDATION OF UNBIASED ALKENES AOC2, ALDH2, ALDH3A1 TSHR 4286/4885ALDH1A1 9/4885CA1 1101/4885

“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.

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