SCHEMBL648904

SCHEMBL648904

COc1cc(C=C2SC(=O)N(CCn3cccn3)C2=O)ccc1Oc1ccc(C#N)cc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 12/20 0.58
ESRRB O95718 1/20 0.58
ESR1 P03372 1/20 0.58
ESRRG P62508 1/20 0.58
ESR2 Q92731 1/20 0.58
VHL P40337 1/20 0.45
CYP3A4 P08684 1/20 0.44
NPSR1 Q6W5P4 4/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.42
ENPP2 Q13822 1/20 0.41
MAPT P10636 1/20 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
SCHEMBL651323 1.00 ESRRA (0.58) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648615 0.90 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648616 0.90 ESRRA (0.62) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648917 0.88 ESRRA (0.58) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648919 0.88 ESRRA (0.58) ESRRAESRRBESR1ESRRGESR2
SCHEMBL649112 0.87 ESRRA (0.58) ESRRAESRRBESR1ESRRGESR2
SCHEMBL649113 0.87 ESRRA (0.58) ESRRAESRRBESR1ESRRGESR2
SCHEMBL26508835 0.87 ESRRA (0.68) ESRRAESRRBESR1ESRRGESR2
SCHEMBL648125 0.85 ESRRA (0.63) ESRRAESRRBESR1ESRRGESR2
SCHEMBL650131 0.85 ESRRA (0.61) ESRRAESRRBESR1ESRRGESR2

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 1027 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4569073-A1 SOLID DISSOLVABLE COMPOSITIONS The Procter & Gamble Company (US) 2025-06-18 EP claimed
EP-4569068-A1 LOW-WATER COMPOSITIONS The Procter & Gamble Company (US) 2025-06-18 EP claimed
EP-4569070-A1 LOW-WATER COMPOSITIONS The Procter & Gamble Company (US) 2025-06-18 EP claimed
CN-119630773-A Solid soluble compositions 宝洁公司 2025-03-14 CN claimed
CN-119585410-A Low water content compositions 宝洁公司 2025-03-07 CN claimed
US-20240309290-A1 FRAGRANCE COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2024-09-19 US claimed
EP-4368694-A1 PERFUME COMPOSITION Takasago International Corporation (JP) 2024-05-15 EP claimed
CN-118043442-A Solid soluble compositions 宝洁公司 2024-05-14 CN claimed
CN-117999337-A Low water content compositions 宝洁公司 2024-05-07 CN claimed
CN-117999336-A Low water content compositions 宝洁公司 2024-05-07 CN claimed
WO-2005066187-A1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GENERAL ELECTRIC COMPANY (US) 2005-07-21 WO claimed
EP-1552814-A1 FRAGRANCE COMPOSITION Kao Corporation (JP) 2005-07-13 EP claimed
US-20050136022-A1 Cyclic siloxane compositions for the release of active ingredients MOMENTIVE PERFORMANCE MATERIALS INC. 2005-06-23 US claimed
US-20050136021-A1 Active-releasing cyclic siloxanes MOMENTIVE PERFORMANCE MATERIALS INC. 2005-06-23 US claimed
US-20050124716-A1 Radiation-curable resins based on hydrogenated ketone-aldehyde and phenol-aldehyde resins and a process for preparing them DEGUSSA AG (DE) 2005-06-09 US claimed
US-20050043501-A1 Radiation-curable resins based on ketone-aldehyde and/or urea-aldehyde resins and a process for preparing them DEGUSSA AG (DE) 2005-02-24 US claimed
US-20050043499-A1 Ketone-aldehyde resins having low water content, high thermal stability and yellowing resistance DEGUSSA AG (DE) 2005-02-24 US claimed
US-20050010016-A1 Resins based on ketones and aldehydes, having improved solubility properties and low color numbers DEGUSSA AG (DE) 2005-01-13 US claimed
WO-2004047788-A2 FUNCTIONAL FRAGRANCE PRECURSOR COLGATE-PALMOLIVE COMPANY (US) 2004-06-10 WO claimed
US-20040102357-A1 For sustained release; fabric softeners, hair conditioners, skin conditioners COLGATE-PALMOLIVE COMPANY 2004-05-27 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20050136022-A1 Cyclic siloxane compositions for the release of active ingredients F9, RPL39, ECPAS ESRRA 1047/4885ESRRB 1762/4885ESR1 336/4885
US-20050136021-A1 Active-releasing cyclic siloxanes F9, RPL39, ALDH16A1 ESRRA 441/4885ESRRB 1071/4885ESR1 226/4885
US-20040102357-A1 For sustained release; fabric softeners, hair conditioners, skin conditioners CUTA, APEH, SUCLG1 ESRRA 2432/4885ESRRB 2389/4885ESR1 2386/4885

“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.