Sugi Predict

Sugi Predict / Compounds / SCHEMBL7870569

SCHEMBL7870569

SCHEMBL7870569

CCc1c(C)cccc1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ NR4A2 P43354 1/20 0.47
▸ TSHR P16473 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.46
▸ CFTR P13569 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ KDM4E B2RXH2 6/20 0.44
▸ POLB P06746 3/20 0.44
▸ ATM Q13315 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MYC P01106 1/20 0.44
▸ GLA P06280 1/20 0.42
▸ ALOX12 P18054 1/20 0.42

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
SCHEMBL4739763 0.98 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTNR4A2TSHR
Ammonia Solution, Strong SCHEMBL28090259 0.98 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTNR4A2TSHR
SCHEMBL22481057 0.89 LMNA (0.53) ALDH1A1HTTTSHRLMNAHSD17B10
SCHEMBL7428925 0.86 TSHR (0.63) ALDH1A1TSHRHSD17B10KMT2AKDM4E
SCHEMBL28680548 0.85 ALDH1A1 (0.53) ALDH1A1L3MBTL1HTTTSHRLMNA
SCHEMBL20161944 0.85 CXCR5 (0.47) ALDH1A1L3MBTL1HTTNR4A2TSHR
SCHEMBL6534556 0.84 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTNR4A2TSHR
SCHEMBL3184374 0.84 ALDH1A1 (0.50) ALDH1A1L3MBTL1HTTNR4A2TSHR
SCHEMBL12174317 0.84 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTNR4A2TSHR
SCHEMBL3540201 0.84 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTNR4A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834456-B2 11,13-modified saxitoxins for the treatment of pain SITEONE THERAPEUTICS, INC. (US) 2023-12-05 — — US disclosed
US-11834456-B2 11,13-modified saxitoxins for the treatment of pain SITEONE THERAPEUTICS, INC. (US) 2023-12-05 — — US disclosed
CN-116960233-A Patterning manufacturing method of quantum dot color conversion layer 北京航空航天大学合肥创新研究院(北京航空航天大学合肥研究生院) 2023-10-27 — — CN disclosed
CN-113527229-B Tertiary amine benzoate compound, preparation method thereof and photo-curing composition 常州强力电子新材料股份有限公司 2023-09-12 — — CN disclosed
EP-3860714-B1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS INC (US) 2023-09-06 — — EP disclosed
EP-3601290-B1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS INC (US) 2021-11-24 — — EP disclosed
CN-113527229-A Tertiary amine type benzoate compound, preparation method thereof and photocuring composition 常州强力电子新材料股份有限公司 2021-10-22 — — CN disclosed
CN-111218161-A Ink-jet printing ink and preparation method thereof 武汉华星光电半导体显示技术有限公司 2020-06-02 — — CN disclosed
WO-2020072835-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2020-04-09 — — WO disclosed
US-20200102317-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. 2020-04-02 — — US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 — — US disclosed
US-20120053159-A1 ISOTOPOLOGUES OF LENALIDOMIDE CELGENE CORPORATION 2012-03-01 — — US disclosed
CN-100463925-C Curable composition TOKUYAMA CORP (JP) 2009-02-25 — — CN disclosed
CN-1865295-A Curable composition TOKUYAMA CORP (JP) 2006-11-22 — — CN disclosed
CN-1285970-C Composition for forming wiring protective film and uses thereof MITSUI CHEMICALS INC (JP) 2006-11-22 — — CN disclosed
CN-1573553-A Composition for forming wiring protective film and uses thereof MITSUI CHEMICALS INC (JP) 2005-02-02 — — CN disclosed
US-6303593-B1 FOR THERAPY HUMAN IMMUNODEFICIENCY VIRUS INFECTION, AQUIRED IMMUNODEFICIENCY SYNDROME (AIDS), INFLAMMATORY AND IMMUNOREGULATORY DISORDER OR DISEASE, ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS MERCK & CO., INC. 2001-10-16 — — US disclosed
WO-2000051608-A1 3-THIENYL AND 3-FURANYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-09-08 — — WO disclosed
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 — — 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 (4 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-20120053159-A1 ISOTOPOLOGUES OF LENALIDOMIDE CDK4, SRMS, DAP3 ALDH1A1 2226/4885L3MBTL1 3362/4885HTT 679/4885
US-11834456-B2 11,13-modified saxitoxins for the treatment of pain SCN11A, SCN10A, CACNA1A ALDH1A1 4050/4885L3MBTL1 3602/4885HTT 1418/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 ALDH1A1 875/4885L3MBTL1 4411/4885HTT 4421/4885
US-20200102317-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SCN11A, SCN10A, SCN3A ALDH1A1 3422/4885L3MBTL1 4064/4885HTT 1245/4885

“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.