SCHEMBL2517

SCHEMBL2517

O=COCCCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.48
IDO1 P14902 1/20 0.48
FFAR1 O14842 1/20 0.47
MAOA P21397 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAOB P27338 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
S1PR1 P21453 1/20 0.44

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
SCHEMBL97332 0.98 SIGMAR1 (0.52) SIGMAR1IDO1FFAR1MAPTRXFP1
SCHEMBL96962 0.98 SIGMAR1 (0.52) SIGMAR1IDO1FFAR1MAPTRXFP1
SCHEMBL97490 0.94 TDP1 (0.46) SIGMAR1IDO1FFAR1MAOALMNA
SCHEMBL27373 0.94 IDO1 (0.55) SIGMAR1IDO1FFAR1MAOALMNA
SCHEMBL5547690 0.93 TDP1 (0.49) SIGMAR1IDO1FFAR1MAPTRXFP1
SCHEMBL2961385 0.93 TDP1 (0.49) SIGMAR1IDO1FFAR1MAPTRXFP1
SCHEMBL5546766 0.93 TDP1 (0.49) SIGMAR1IDO1FFAR1MAPTRXFP1
SCHEMBL5545719 0.93 TDP1 (0.49) SIGMAR1IDO1FFAR1MAPTRXFP1
SCHEMBL5537354 0.93 TDP1 (0.49) SIGMAR1IDO1FFAR1MAPTRXFP1
SCHEMBL96791 0.93 TDP1 (0.49) SIGMAR1IDO1FFAR1MAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250049660-A1 ENOL ETHER PROPERFUME FIRMENICH SA (CH) 2025-02-13 US disclosed
EP-4416125-A1 ENOL ETHER PROPERFUME Firmenich SA (CH) 2024-08-21 EP disclosed
CN-118369306-A Enol ether pro-fragrances 弗门尼舍有限公司 2024-07-19 CN disclosed
WO-2024075815-A1 8-HYDROXYQUINOLINE COMPOUND AND USE THEREOF 国立大学法人大阪大学 2024-04-11 WO disclosed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
EP-3423429-B1 MODULATORS OF LIPOXYGENASE AND CYCLOOXYGENASE ENZYME ACTIVITY UNIV DE MONCTON (CA) 2023-07-12 EP disclosed
WO-2023111006-A1 ENOL ETHER PROPERFUME FIRMENICH SA (CH) 2023-06-22 WO disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-9745294-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2017-08-29 US disclosed
US-9744153-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2017-08-29 US disclosed
US-4420624-A ANTIBIOTICS THE UPJOHN COMPANY (US) 1983-12-13 US disclosed
EP-0088385-A2 7-Acylamino-3-cephem-4-carboxylic acid derivatives, processes for the preparation of the same and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-09-14 EP disclosed
US-4361701-A SPECTINOMYCIN ANTIBIOTICS THE UPJOHN COMPANY (US) 1982-11-30 US disclosed
US-4351771-A Spectinomycin analogs and methods for the preparation thereof THE UPJOHN COMPANY (US) 1982-09-28 US disclosed
US-4345086-A ETHERIFICATION, CYCLIZATION, SULFIDING THE UPJOHN COMPANY (US) 1982-08-17 US disclosed
US-4337347-A ANTIBIOTICS THE UPJOHN COMPANY (US) 1982-06-29 US disclosed
US-4282152-A Intermediates for preparing spectinomycin and analogs thereof THE UPJOHN COMPANY (US) 1981-08-04 US disclosed
EP-0021883-A2 N-acyl-amino acid derivatives and pharmaceutical compositions containing them, intermediates and starting compounds MERRELL TORAUDE ET COMPAGNIE (FR) 1981-01-07 EP disclosed
US-4057550-A 14,15-DIHYDRO-14-CYANO-EBURNAMENINES, VASODILATION RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1977-11-08 US disclosed
US-4054571-A Nitrogen-containing polycyclic compounds and a process for the preparation thereof RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1977-10-18 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 SIGMAR1 4091/4885IDO1 2430/4885FFAR1 1292/4885
US-20250049660-A1 ENOL ETHER PROPERFUME CYP2E1, ADH5, ECI1 SIGMAR1 2813/4885IDO1 2923/4885FFAR1 464/4885

“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.