SCHEMBL3476152

SCHEMBL3476152

CC(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
CYP3A4 P08684 1/20 0.36
TPMT P51580 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL12214120 0.83 KDM4E (0.42) KDM4EPOLBMAPTLMNAALDH1A1
SCHEMBL31236754 0.82 P2RX7 (0.35) KDM4EMAPTALDH1A1CYP3A4TPMT
SCHEMBL31236753 0.82 P2RX7 (0.35) KDM4EMAPTALDH1A1CYP3A4TPMT
SCHEMBL15821809 0.82 ALDH1A1 (0.38) KDM4EMAPTALDH1A1HPGDCYP3A4
SCHEMBL15319053 0.81 NPSR1 (0.39) KDM4EPOLBMAPTLMNAALDH1A1
SCHEMBL509440 0.81 KDM4E (0.58) KDM4EPOLBMAPTLMNAALDH1A1
SCHEMBL1259503 0.81 KDM4E (0.41) KDM4EPOLBMAPTLMNAALDH1A1
SCHEMBL2722638 0.80 HRH3 (0.38) KDM4EPOLBMAPTLMNAALDH1A1
SCHEMBL37165 0.79 KDM4E (0.40) KDM4EPOLBMAPTLMNAALDH1A1
Hydrochloric Acid SCHEMBL2529687 0.79 KDM4E (0.56) KDM4EPOLBMAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116988195-A Easy-to-dye non-fading cotton yarn and preparation method thereof 江苏金夏纺织有限公司 2023-11-03 CN claimed
CN-113443968-A Industrial preparation method of 3, 5-dimethylphenol 安徽润衍科技有限公司 2021-09-28 CN claimed
CN-112094175-A Industrial preparation method of 3, 5-dimethylphenol 安徽润衍科技有限公司 2020-12-18 CN claimed
CN-116988195-A Easy-to-dye non-fading cotton yarn and preparation method thereof 江苏金夏纺织有限公司 2023-11-03 CN disclosed
CN-115246806-A New preparation method of vitamin E 武汉大学 2022-10-28 CN disclosed
CN-112126614-B Method for preparing raspberry ketone by whole cell transformation 江南大学 2022-05-17 CN disclosed
CN-113443968-A Industrial preparation method of 3, 5-dimethylphenol 安徽润衍科技有限公司 2021-09-28 CN disclosed
CN-113443968-A Industrial preparation method of 3, 5-dimethylphenol 安徽润衍科技有限公司 2021-09-28 CN disclosed
CN-112868647-A Application of perfume compound in preparation of sanitary articles for inhibiting infection of novel coronavirus 广西壮族自治区中国科学院广西植物研究所 2021-06-01 CN disclosed
CN-112778071-A Process for cyclopropanation of olefins using N-methyl-N-nitroso compounds 奇华顿股份有限公司 2021-05-11 CN disclosed
CN-108025997-B Process for cyclopropanation of olefins using N-methyl-N-nitroso compounds 奇华顿股份有限公司 2021-01-15 CN disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-20130082209-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-04-04 US disclosed
US-8247619-B2 Making renewable bisphenol a from phenol and acetone, at least one of which was made from bio-based sources SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2012-08-21 US disclosed
US-8247619-B2 Making renewable bisphenol a from phenol and acetone, at least one of which was made from bio-based sources SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2012-08-21 US disclosed
US-20100152406-A1 BPA and Polycarbonate Made from Renewable Materials SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-06-17 US disclosed
US-20100152406-A1 BPA and Polycarbonate Made from Renewable Materials SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-06-17 US disclosed
US-5849957-A Process for obtaining isophorone ELF ATOCHEM S.A. (FR) 1998-12-15 US disclosed
US-5087781-A Method of making mesitylene ARISTECH CHEMICAL CORPORATION (US) 1992-02-11 US disclosed
US-4833260-A Process for the epoxidation of olefinic compounds ANIC S.P.A. (IT) 1989-05-23 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 (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-20150263297-A1 Metal Complexes SOD1, AP1M1, AP3M1 KDM4E 3816/4885POLB 1266/4885MAPT 1084/4885
US-20130082209-A1 METAL COMPLEXES MCOLN2, MCOLN1, AP1M1 KDM4E 4129/4885POLB 810/4885MAPT 1164/4885

“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.