SCHEMBL15901747

SCHEMBL15901747

CC(C)CCCCCCCOC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.58
▸ RARB P10826 1/20 0.58
▸ PDCD1 Q15116 1/20 0.53
▸ CD274 Q9NZQ7 1/20 0.53
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ SLC1A5 Q15758 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ CNR2 P34972 1/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ LMNA P02545 3/20 0.47
▸ TSHR P16473 2/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44

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
SCHEMBL15901983 1.00 TDP1 (0.58) TDP1RARBPDCD1CD274NPC1
SCHEMBL15902546 1.00 TDP1 (0.58) TDP1RARBPDCD1CD274NPC1
SCHEMBL246612 0.91 TDP1 (0.71) TDP1RARBNPC1RAB9AMAPK1
SCHEMBL13048767 0.91 TDP1 (0.71) TDP1RARBNPC1RAB9AMAPK1
SCHEMBL4334899 0.91 TDP1 (0.71) TDP1RARBNPC1RAB9AMAPK1
SCHEMBL21829 0.91 TDP1 (0.71) TDP1RARBNPC1RAB9AMAPK1
SCHEMBL1401943 0.91 TDP1 (0.71) TDP1RARBNPC1RAB9AMAPK1
SCHEMBL3031699 0.91 TDP1 (0.71) TDP1RARBNPC1RAB9AMAPK1
SCHEMBL20606290 0.91 TDP1 (0.71) TDP1RARBNPC1RAB9AMAPK1
SCHEMBL4331527 0.90 TDP1 (0.73) TDP1RARBNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10081593-B2 Alkyl aromatic hydroalkylation for the production of plasticizers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2018-09-25 — — US disclosed
US-20180022689-A1 Alkyl Aromatic Hydroalkylation For The Production of Plasticizers EXXONMOBIL CHEMICAL PATENTS INC 2018-01-25 — — US disclosed
US-9815767-B2 Alkyl aromatic hydroalkylation for the production of plasticizers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-11-14 — — US disclosed
US-20160237022-A1 Alkyl Aromatic Hydroalkylation for the Production of Plasticizers EXXONMOBIL CHEMICAL PATENTS INC. 2016-08-18 — — US disclosed
US-9321898-B2 Alkyl aromatic hydroalkylation for the production of plasticizers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-04-26 — — US disclosed
EP-2948426-A1 ALKYL AROMATIC HYDROALKYLATION FOR THE PRODUCTION OF PLASTICIZERS ExxonMobil Chemical Patents Inc. (US) 2015-12-02 — — EP disclosed
US-9085669-B2 Alkyl aromatic hydroalkylation for the production of plasticizers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-07-21 — — US disclosed
US-20150140350-A1 Alkyl Aromatic Hydroalkylation for the Production of Plasticizers EXXONMOBIL CHEMICAL PATENTS INC. 2015-05-21 — — US disclosed
WO-2014117076-A9 ALKYL AROMATIC HYDROALKYLATION FOR THE PRODUCTION OF PLASTICIZERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-04-23 — — WO disclosed
US-8829093-B2 Alkyl aromatic hydroalkylation for the production of plastisizers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-09-09 — — US disclosed
US-20140213709-A1 ALKYL AROMATIC HYDROALKYLATION FOR THE PRODUCTION OF PLASTISIZERS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2014-07-31 — — US disclosed
US-20140212666-A1 Alkyl Aromatic Hydroalkylation for the Production of Plasticizers EXXONMOBIL CHEMICAL PATENTS INC. 2014-07-31 — — US disclosed
WO-2014117076-A1 ALKYL AROMATIC HYDROALKYLATION FOR THE PRODUCTION OF PLASTICIZER EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-07-31 — — 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 (4 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-20150140350-A1 Alkyl Aromatic Hydroalkylation for the Production of Plasticizers ALKBH3, AHR, ADH1A TDP1 3313/4885RARB 452/4885PDCD1 4666/4885
US-20180022689-A1 Alkyl Aromatic Hydroalkylation For The Production of Plasticizers ALKBH3, AHR, ADH1A TDP1 3313/4885RARB 452/4885PDCD1 4666/4885
US-10081593-B2 Alkyl aromatic hydroalkylation for the production of plasticizers ALKBH3, AHR, ADH1A TDP1 3313/4885RARB 452/4885PDCD1 4666/4885
US-20160237022-A1 Alkyl Aromatic Hydroalkylation for the Production of Plasticizers ALKBH3, AHR, ADH1A TDP1 3313/4885RARB 452/4885PDCD1 4666/4885

“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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