Sugi Predict

Sugi Predict / Compounds / SCHEMBL5360890

SCHEMBL5360890

SCHEMBL5360890

COC(=O)c1cc(OC)c2c(c1Br)OCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.45
▸ POLB P06746 4/20 0.42
▸ HSD17B10 Q99714 4/20 0.41
▸ TARBP2 Q15633 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ USP2 O75604 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NFKB1 P19838 1/20 0.38

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
SCHEMBL9716376 0.91 KDM4E (0.48) KDM4EPOLBHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL5368137 0.86 LCK (0.51) KDM4EPOLBHSD17B10ALDH1A1SMN1; SMN2
Bifendate SCHEMBL30788692 0.84 TARBP2 (0.48) KDM4EPOLBHSD17B10TARBP2ALDH1A1
Bifendate SCHEMBL29516235 0.84 TARBP2 (0.48) KDM4EPOLBHSD17B10TARBP2ALDH1A1
Bifendate SCHEMBL896166 0.84 TARBP2 (0.48) KDM4EPOLBHSD17B10TARBP2ALDH1A1
SCHEMBL23660879 0.82 KDM4E (0.41) KDM4EPOLBHSD17B10TARBP2ALDH1A1
SCHEMBL5245421 0.82 KDM4E (0.56) KDM4EPOLBHSD17B10TARBP2ALDH1A1
SCHEMBL28603320 0.79 KDM4E (0.46) KDM4EPOLBHSD17B10TARBP2ALDH1A1
SCHEMBL23439387 0.79 POLB (0.47) KDM4EPOLBHSD17B10TARBP2ALDH1A1
SCHEMBL25688023 0.78 TARBP2 (0.44) KDM4EPOLBHSD17B10TARBP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024398-A Synthesis process of biphenyl double-lipid important intermediate 2-bromo-3, 4-methylenedioxy-5-methoxybenzoic acid methyl ester 重庆恩联生物科技有限公司 2023-11-10 — — CN claimed
CN-113214299-A Gamma-biphenyldicarboxylate intermediate, synthetic method thereof and gamma-biphenyldicarboxylate synthetic method 重庆西南制药二厂有限责任公司 2021-08-06 — — CN claimed
CN-111018825-B Synthetic method of 2-bromo-3, 4-methylenedioxy-5-methoxybenzoic acid methyl ester 苏州诚和医药化学有限公司 2020-12-22 — — CN claimed
CN-111018825-A Synthetic method of 2-bromo-3, 4-methylenedioxy-5-methoxybenzoic acid methyl ester 苏州诚和医药化学有限公司 2020-04-17 — — CN claimed
CN-117024398-A Synthesis process of biphenyl double-lipid important intermediate 2-bromo-3, 4-methylenedioxy-5-methoxybenzoic acid methyl ester 重庆恩联生物科技有限公司 2023-11-10 — — CN disclosed
CN-117024398-A Synthesis process of biphenyl double-lipid important intermediate 2-bromo-3, 4-methylenedioxy-5-methoxybenzoic acid methyl ester 重庆恩联生物科技有限公司 2023-11-10 — — CN disclosed
CN-117024398-A Synthesis process of biphenyl double-lipid important intermediate 2-bromo-3, 4-methylenedioxy-5-methoxybenzoic acid methyl ester 重庆恩联生物科技有限公司 2023-11-10 — — CN disclosed
CN-113214299-A Gamma-biphenyldicarboxylate intermediate, synthetic method thereof and gamma-biphenyldicarboxylate synthetic method 重庆西南制药二厂有限责任公司 2021-08-06 — — CN disclosed
CN-111004206-B Synthetic method of biphenyl diester intermediate 苏州诚和医药化学有限公司 2021-05-11 — — CN disclosed
CN-111018825-B Synthetic method of 2-bromo-3, 4-methylenedioxy-5-methoxybenzoic acid methyl ester 苏州诚和医药化学有限公司 2020-12-22 — — CN disclosed
CN-111018825-B Synthetic method of 2-bromo-3, 4-methylenedioxy-5-methoxybenzoic acid methyl ester 苏州诚和医药化学有限公司 2020-12-22 — — CN disclosed
CN-111018825-B Synthetic method of 2-bromo-3, 4-methylenedioxy-5-methoxybenzoic acid methyl ester 苏州诚和医药化学有限公司 2020-12-22 — — CN disclosed
WO-2005082883-A2 TETRAHYDROISOQUINOLINYL DERIVATIVES OF QUINAZOLINE AND ISOQUINOLINE PFIZER PRODUCTS INC. (US) 2005-09-09 — — WO disclosed
US-20050182079-A1 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC 2005-08-18 — — US disclosed
EP-0267970-B1 NOVEL BIPHENYL DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE TSUMURA & CO (JP) 1994-03-16 — — EP disclosed
US-5264594-A Alkylation of carbonates TSUMURA & CO. (JP) 1993-11-23 — — US disclosed
US-4996331-A Novel biphenyl derivative and preparation and use thereof TSUMURA & CO. (JP) 1991-02-26 — — US disclosed
US-4925872-A HEPATITIS TSUMURA & CO. (JP) 1990-05-15 — — US disclosed
US-4849448-A LIVER DISORDER TREATMENT TSUMURA JUNTENDO, INC. (JP) 1989-07-18 — — US disclosed
EP-0267970-A1 NOVEL BIPHENYL DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE TSUMURA & CO. (JP) 1988-05-25 — — EP 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 (1 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-20050182079-A1 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PDE5A, PDE3A, PDE3B KDM4E 1096/4885POLB 2370/4885HSD17B10 658/4885

“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.