Sugi Predict

Sugi Predict / Compounds / SCHEMBL6174128

SCHEMBL6174128

SCHEMBL6174128

COCC1COc2ccccc2O1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.53
▸ ESR2 Q92731 1/20 0.53
▸ MTNR1A P48039 1/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ADRA2A P08913 3/20 0.51
▸ ADRA1A P35348 2/20 0.51
▸ ADRA2B P18089 2/20 0.51
▸ ADRA2C P18825 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ DRD1 P21728 1/20 0.51
▸ TBXA2R P21731 1/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ ADRA1D P25100 1/20 0.51
▸ ADRA1B P35368 1/20 0.51
▸ SCN1A P35498 1/20 0.51
▸ SCN2A Q99250 1/20 0.51
▸ SCN3A Q9NY46 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
SCHEMBL14367866 1.00 POLB (0.53) POLBESR2MTNR1AL3MBTL1MAPK1
SCHEMBL14367881 1.00 POLB (0.53) POLBESR2MTNR1AL3MBTL1MAPK1
SCHEMBL14584985 0.83 HTT (0.56) POLBESR2MTNR1AMAPK1ADRA2A
SCHEMBL15203311 0.83 ALDH1A1 (0.55) POLBESR2MTNR1AL3MBTL1MAPK1
SCHEMBL18213827 0.81 L3MBTL1 (0.49) POLBESR2MTNR1AL3MBTL1MAPK1
SCHEMBL10844030 0.81 ALDH1A1 (0.52) L3MBTL1MAPK1ADRA2AADRA1AADRA2B
SCHEMBL8259889 0.80 CA2 (0.56) MTNR1AL3MBTL1CA2
SCHEMBL172391 0.79 POLB (0.61) POLBESR2MTNR1AADRA2AADRA1A
SCHEMBL31061980 0.79 POLB (0.61) POLBESR2MTNR1AADRA2AADRA1A
SCHEMBL2631380 0.79 POLB (0.61) POLBESR2MTNR1AADRA2AADRA1A

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-112079830-B Inhibitor containing fused ring derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-22 — — CN disclosed
US-9771320-B2 Carbocyclic sulfone RORγ modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 — — US disclosed
US-9273017-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2016-03-01 — — US disclosed
US-9273017-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2016-03-01 — — US disclosed
US-9224971-B2 Organic electroluminescence device and display unit JOLED INC. (JP) 2015-12-29 — — US disclosed
US-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2015-08-27 — — US disclosed
US-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE BAHAMAS LIMITED (BS) 2015-08-27 — — US disclosed
US-9045441-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2015-06-02 — — US disclosed
US-9045441-B2 (Thio)morpholine derivatives as S1P modulators ABBVIE BAHAMAS LIMITED (BS) 2015-06-02 — — US disclosed
US-8575392-B2 Charge-transporting varnish NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-11-05 — — US disclosed
US-20070105030-A1 1, 4-Benzodioxane sulfonic acid compound and use thereof as electron-acceptor material NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-05-10 — — US disclosed
US-20070054892-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-03-08 — — US disclosed
US-20070054892-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-03-08 — — US disclosed
US-20070043222-A1 Charge-transporting organic material containing compound having 1,4-dithiin ring NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-02-22 — — US disclosed
EP-1212320-B1 PHENYLPIPERAZINES AS SEROTONIN REUPTAKE INHIBITORS SOLVAY PHARM BV (NL) 2005-07-06 — — EP disclosed
US-6835735-B2 Anticancer, tyrosine kinase inhibitors KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-12-28 — — US disclosed
US-20030045537-A1 4-(Phenylamino)-[1,4]dioxano[2,3-g]quinazoline derivatives and process for preparing the same KOREAN INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-03-06 — — US disclosed
EP-1212320-A2 PHENYLPIPERAZINES AS SEROTONIN REUPTAKE INHIBITORS Solvay Pharmaceuticals B.V. (NL) 2002-06-12 — — EP disclosed
WO-2001014330-A2 PHENYLPIPERAZINES AS SEROTONIN REUPTAKE INHIBITORS SOLVAY PHARMACEUTICALS B.V. (NL) 2001-03-01 — — WO disclosed
US-5229398-A Analgesics ADIR ET COMPAGNIE (FR) 1993-07-20 — — 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 (5 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-20070105030-A1 1, 4-Benzodioxane sulfonic acid compound and use thereof as electron-acceptor material USE1, SLC9A1, ELOVL1 POLB 1569/4885ESR2 862/4885MTNR1A 3492/4885
US-20150239857-A1 (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 POLB 3779/4885ESR2 1338/4885MTNR1A 439/4885
US-20030045537-A1 4-(Phenylamino)-[1,4]dioxano[2,3-g]quinazoline derivatives and process for preparing the same EGFR, ERBB2, ERBB4 POLB 3862/4885ESR2 2296/4885MTNR1A 2854/4885
US-20070043222-A1 Charge-transporting organic material containing compound having 1,4-dithiin ring SLCO2A1, SLCO4C1, VIL1 POLB 1429/4885ESR2 2468/4885MTNR1A 3482/4885
US-20070054892-A1 Isoquinoline potassium channel inhibitors KCNQ1, KCNQ2, KCNQ5 POLB 4430/4885ESR2 3960/4885MTNR1A 2476/4885

“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.