SCHEMBL8851561

SCHEMBL8851561

COc1ccc(OC)c2c(OC)c(C=O)cc(OC)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
TSHR P16473 2/20 0.52
KDM4E B2RXH2 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
TUBB1 Q9H4B7 3/20 0.48
ERN1 O75460 4/20 0.47
PRKDC P78527 2/20 0.47
CYP1A1 P04798 2/20 0.45
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41

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
SCHEMBL29442952 1.00 ALDH1A1 (0.52) ALDH1A1TSHRKDM4ETDP1TUBB1
SCHEMBL8859774 0.81 ERN1 (0.53) ALDH1A1TUBB1ERN1CYP1A1MAPT
SCHEMBL3751505 0.80 ALDH1A1 (0.59) ALDH1A1TSHRKDM4ETDP1TUBB1
SCHEMBL27657142 0.80 ACHE (0.46) TUBB1CYP1A1CYP3A4MAPTTUBB4A
SCHEMBL3152057 0.76 PRKDC (0.58) ALDH1A1TSHRKDM4ETDP1TUBB1
SCHEMBL16093496 0.76 ERN1 (0.62) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL16096243 0.76 ALDH1A1 (0.53) ALDH1A1TSHRKDM4ETDP1TUBB1
SCHEMBL11761215 0.75 ALDH1A1 (0.45) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL21830258 0.75 CYP1A1 (0.41) ALDH1A1TSHRTDP1CYP1A1CYP3A4
SCHEMBL2743529 0.75 ALDH1A1 (0.57) ALDH1A1TSHRKDM4ETDP1TUBB1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093228-A1 METHOD FOR PREPARING ANTHRAQUINONE-FUNCTIONALIZED POLY(VINYLIDENE FLUORIDE) MEMBRANE XIAMEN UNIVERSITY OF TECHNOLOGY (CN) 2018-04-05 US claimed
CN-105642127-B A kind of preparation method of anthraquinone functionalization polyvinylidene fluoride (PVDF) ultrafiltration membrane 厦门理工学院 2018-01-05 CN claimed
CN-105642127-A Preparation method of anthraquinone functionalized polyvinylidene fluoride ultrafiltration membrane 厦门理工学院 2016-06-08 CN claimed
CN-102617342-B (+/-)-alkannin naphthazarin parent nucleus oxygen alkyl acylation derivant and preparation method thereof UNIV SHANGHAI JIAOTONG 2014-04-30 CN claimed
CN-102199080-B Method for preparing shikonin with high optical purity by asymmetric total synthetic method UNIV SHANGHAI JIAOTONG 2013-07-03 CN claimed
CN-102617342-A (+/-)-alkannin naphthazarin parent nucleus oxygen alkyl acylation derivant and preparation method thereof UNIV SHANGHAI JIAOTONG 2012-08-01 CN claimed
CN-102399139-A Preparation method of high optical purity shikonin and alkannin, and derivatives thereof UNIV SHANGHAI JIAOTONG 2012-04-04 CN claimed
CN-1686994-A Total synthesis method for preparing receme alkannin UNIV SHANGHAI JIAOTONG (CN) 2005-10-26 CN claimed
JP-59175449-A None JP disclosed
WO-2025230237-A1 MANUFACTURING METHOD FOR INTERMEDIATE COMPOUND FOR SHIKONIN SYNTHESIS 주식회사 그라스메디 2025-11-06 WO disclosed
US-20230406804-A1 PROTEIN KINASE INHIBITORS THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND 2023-12-21 US disclosed
US-20210355060-A1 PROTEIN KINASE INHIBITORS THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND 2021-11-18 US disclosed
CN-109384697-A Sulfur-containing alkannin 9 oxime derivate and application thereof 上海交通大学 2019-02-26 CN disclosed
US-20180093228-A1 METHOD FOR PREPARING ANTHRAQUINONE-FUNCTIONALIZED POLY(VINYLIDENE FLUORIDE) MEMBRANE XIAMEN UNIVERSITY OF TECHNOLOGY (CN) 2018-04-05 US disclosed
US-5696276-A Process for preparing 5,8-dihydroxynaphthoquinone derivatives, novel 5,8-dihydroxynaphthoquinone derivatives and their use as anticancer agent KUHNIL PHARMACEUTICAL CO., LTD. (KR) 1997-12-09 US disclosed
EP-0402487-B1 PRODUCTION OF BLACKING MATERIAL AND APPLICATION THEREOF IHARA CHEMICAL IND CO (JP) 1994-04-06 EP disclosed
US-5244469-A Process for preparation of black coloring materials and application thereof: chitosan treated with black extract of lithospermum root IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1993-09-14 US disclosed
EP-0402487-A1 PRODUCTION OF BLACKING MATERIAL AND APPLICATION THEREOF IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1990-12-19 EP disclosed
US-4560511-A Method of producing shikonin KYUSHU INSTITUTE OF TECHNOLOGY (JP) 1985-12-24 US disclosed
JP-S59175449-A PRODUCTION OF SHIKONIN KYUSHU KOGYO DAIGAKU 1984-10-04 JP 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-20230406804-A1 PROTEIN KINASE INHIBITORS ERBB2, ERBB3, MAP3K20 ALDH1A1 4558/4885TSHR 1434/4885KDM4E 1222/4885
US-20210355060-A1 PROTEIN KINASE INHIBITORS ERBB2, ERBB3, MAP3K20 ALDH1A1 4558/4885TSHR 1434/4885KDM4E 1222/4885

“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.