SCHEMBL2296426

SCHEMBL2296426

CCOC(=O)c1ccccc1NCCCO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.61
GLA P06280 1/20 0.61
TSHR P16473 6/20 0.57
HSD17B10 Q99714 4/20 0.55
LMNA P02545 4/20 0.53
CDC25B P30305 3/20 0.53
CDC25A P30304 1/20 0.53
CDC25C P30307 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TP53 P04637 1/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
MAPK10 P53779 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL8062417 0.91 KDM4E (0.74) KDM4EGLATSHRHSD17B10LMNA
SCHEMBL9590321 0.90 TSHR (0.59) KDM4EGLATSHRHSD17B10LMNA
SCHEMBL7634140 0.87 TSHR (0.56) KDM4EGLATSHRHSD17B10LMNA
SCHEMBL27829693 0.86 KDM4E (0.82) KDM4EGLATSHRHSD17B10LMNA
SCHEMBL11159593 0.86 TSHR (0.62) KDM4EGLATSHRHSD17B10LMNA
SCHEMBL14408834 0.86 TDP1 (0.56) KDM4EGLATSHRHSD17B10LMNA
SCHEMBL6438492 0.84 TSHR (0.59) KDM4EGLATSHRHSD17B10LMNA
SCHEMBL28498942 0.84 TSHR (0.59) KDM4EGLATSHRHSD17B10LMNA
SCHEMBL1460556 0.83 TSHR (0.67) KDM4ETSHRHSD17B10LMNACDC25B
SCHEMBL13280252 0.82 KDM4E (0.62) KDM4EGLATSHRHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115362006-B Personal care compositions, methods of using the same, and improvements in deposition 巴斯夫欧洲公司 2025-04-01 CN disclosed
CN-115362006-A Personal care compositions, methods of using the same and improvements in deposition 巴斯夫欧洲公司 2022-11-18 CN disclosed
CN-113811365-A Personal wash compositions and methods for achieving improved conditioning benefits 巴斯夫欧洲公司 2021-12-17 CN disclosed
CN-113727695-A Personal care compositions and methods comprising trans-1-chloro-3, 3, 3-trifluoropropene and trans-1, 3,3, 3-tetrafluoropropene 霍尼韦尔国际公司 2021-11-30 CN disclosed
CN-111727031-A Personal care compositions and methods comprising trans-1-chloro-3, 3, 3-trifluoropropene 霍尼韦尔国际公司 2020-09-29 CN disclosed
EP-2123249-B1 OIL SOLUTION, AND LUBRICANT, MOISTURE-RETAINING AGENT AND PREPARATION FOR EXTERNAL APPLICATION CONTAINING THE SAME KOKYU ALCOHOL KOGYO CO LTD (JP) 2020-07-22 EP disclosed
US-7993631-B2 Oil base and external preparation containing same KOKYU ALCOHOL KOGYO CO., LTD. (JP) 2011-08-09 US disclosed
EP-2123249-A1 OIL SOLUTION, AND LUBRICANT, MOISTURE-RETAINING AGENT AND PREPARATION FOR EXTERNAL APPLICATION CONTAINING THE SAME Kokyu Alcohol Kogyo Co., Ltd. (JP) 2009-11-25 EP disclosed
US-20080200544-A1 superior water and/or oil solubility as well as suppressed stickiness when applied to skin; esters of a specific dibasic acid (e.g malic, succinic, tartaric or adipic acids) and a poly (or mono) ethylene glycol monoether; cosmetics, shampoo, hair mists, moisturizing lotions, paints, ink, lubricants KOKYU ALCOHOL KOGYO CO., LTD. (JP) 2008-08-21 US disclosed
US-20070269470-A1 Oil base and external preparation containing same KOKYU ALCOHOL KOGYO CO., LTD. (JP) 2007-11-22 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 (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-20080200544-A1 superior water and/or oil solubility as well as suppressed stickiness when applied to skin; esters of a specific dibasic acid (e.g malic, succinic, tartaric or adipic acids) and a poly (or mono) ethylene glycol monoether; cosmetics, shampoo, hair mists, moisturizing lotions, paints, ink, lubricants ME1, ME2, MSMO1 KDM4E 2807/4885GLA 1494/4885TSHR 3932/4885
US-20070269470-A1 Oil base and external preparation containing same ALOX12, SOAT1, MED12 KDM4E 3802/4885GLA 2913/4885TSHR 4443/4885

“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.