SCHEMBL16797095

SCHEMBL16797095

COc1cc(/C=C/c2ccc(OC(=O)CCC(=O)O)cc2)cc(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.63
▸ PPARG P37231 2/20 0.63
▸ PPARD Q03181 2/20 0.63
▸ PPARA Q07869 2/20 0.63
▸ ESR1 P03372 4/20 0.57
▸ TTR P02766 3/20 0.57
▸ AHR P35869 3/20 0.57
▸ NQO2 P16083 3/20 0.57
▸ ABL1 P00519 2/20 0.57
▸ CYP1A1 P04798 2/20 0.57
▸ ABCB1 P08183 2/20 0.57
▸ ALOX5 P09917 2/20 0.57
▸ BCR P11274 2/20 0.57
▸ PTGS2 P35354 2/20 0.57
▸ CYP1B1 Q16678 2/20 0.57
▸ TUBB4A P04350 2/20 0.57
▸ TUBB P07437 2/20 0.57
▸ TUBA3C P0DPH7 2/20 0.57
▸ TUBA1B P68363 2/20 0.57
▸ TUBA4A P68366 2/20 0.57

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
SCHEMBL16797096 1.00 FFAR1 (0.63) FFAR1PPARGPPARDPPARAESR1
SCHEMBL28469011 0.94 ESR1 (0.64) FFAR1PPARGPPARDPPARAESR1
SCHEMBL28467186 0.88 KMT2A (0.73) FFAR1PPARGPPARDPPARATTR
SCHEMBL28462780 0.88 KMT2A (0.73) FFAR1PPARGPPARDPPARATTR
SCHEMBL28467188 0.88 KMT2A (0.73) FFAR1PPARGPPARDPPARATTR
SCHEMBL18380781 0.84 ALB (0.62) FFAR1PPARGPPARDPPARAESR1
SCHEMBL28462762 0.84 ALB (0.62) FFAR1PPARGPPARDPPARAESR1
SCHEMBL19039763 0.83 KMT2A (0.56) FFAR1PPARGPPARDPPARAESR1
SCHEMBL19690708 0.82 HTT (0.66) FFAR1CYP1A2NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL3362815 0.82 ESR1 (0.58) FFAR1PPARGPPARDPPARAESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111777577-A Taxol derivative and application thereof in preparation of medicine for preventing and treating human malignant tumor 天津仁雨生物科技有限公司 2020-10-16 — — CN claimed
CN-111777577-A Taxol derivative and application thereof in preparation of medicine for preventing and treating human malignant tumor 天津仁雨生物科技有限公司 2020-10-16 — — CN disclosed
US-20180066004-A9 MITOCHONDRIA-TARGETING PLATINUM(IV) PRODRUG UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2018-03-08 — — US disclosed
US-20170190726-A9 PRODRUG FOR RELEASE OF CISPLATIN AND CYCLOOXYGENASE INHIBITOR THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2017-07-06 — — US disclosed
US-20170087167-A1 MODIFICATION OF DRUGS FOR INCORPORATION INTO NANOPARTICLES THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2017-03-30 — — US disclosed
US-20170037071-A1 MITOCHONDRIA-TARGETING PLATINUM(IV) PRODRUG UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2017-02-09 — — US disclosed
US-20160326200-A1 PRODRUG FOR RELEASE OF CISPLATIN AND CYCLOOXYGENASE INHIBITOR UNIV GEORGIA (US) 2016-11-10 — — US disclosed
EP-3080137-A1 PRODRUG FOR RELEASE OF CISPLATIN AND CYCLOOXYGENASE INHIBITOR The University Of Georgia Research Foundation, Inc (US) 2016-10-19 — — EP disclosed
WO-2015089389-A1 PRODRUG FOR RELEASE OF CISPLATIN AND CYCLOOXYGENASE INHIBITOR UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2015-06-18 — — 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 (5 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-20170190726-A9 PRODRUG FOR RELEASE OF CISPLATIN AND CYCLOOXYGENASE INHIBITOR PTGS1, PTGES, PTGIS FFAR1 1416/4885PPARG 1066/4885PPARD 2299/4885
US-20180066004-A9 MITOCHONDRIA-TARGETING PLATINUM(IV) PRODRUG MT-ND4, MT-CO3, COX6A1 FFAR1 4650/4885PPARG 832/4885PPARD 1011/4885
US-20160326200-A1 PRODRUG FOR RELEASE OF CISPLATIN AND CYCLOOXYGENASE INHIBITOR PTGS1, PTGES, PTGIS FFAR1 1416/4885PPARG 1066/4885PPARD 2299/4885
US-20170087167-A1 MODIFICATION OF DRUGS FOR INCORPORATION INTO NANOPARTICLES NLN, PRNP, TPMT FFAR1 2756/4885PPARG 1310/4885PPARD 1989/4885
US-20170037071-A1 MITOCHONDRIA-TARGETING PLATINUM(IV) PRODRUG MT-ND4, MT-CO3, COX6A1 FFAR1 4650/4885PPARG 832/4885PPARD 1011/4885

“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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