SCHEMBL985163

SCHEMBL985163

Oc1nncc(N2CCOCC2)c1N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
GPR55 Q9Y2T6 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
POLB P06746 3/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
CYP11B2 P19099 2/20 0.35
MAPT P10636 3/20 0.34
GAA P10253 3/20 0.34
KMT2A Q03164 2/20 0.34
MET P08581 1/20 0.34
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34

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
Hydrochloric Acid SCHEMBL5249555 0.98 ALDH1A1 (0.37) ALDH1A1GPR55HSP90AA1HSP90AB1POLB
Hydrochloric Acid SCHEMBL5249550 0.97 ALDH1A1 (0.36) ALDH1A1GPR55HSP90AA1HSP90AB1POLB
SCHEMBL5759783 0.84 NR1I2 (0.33) ALDH1A1POLBMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL5754089 0.82 NR1I2 (0.33) ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL5756540 0.82 ALDH1A1 (0.35) ALDH1A1POLBMAPTGAAKMT2A
SCHEMBL5761337 0.82 ALDH1A1 (0.35) ALDH1A1POLBMAPTGAAKMT2A
SCHEMBL5759411 0.79 ADRB2 (0.43) ALDH1A1HSP90AA1HSP90AB1
SCHEMBL5755967 0.74 PIK3CA (0.42) ALDH1A1HSP90AA1HSP90AB1POLBPIK3CD
SCHEMBL16040071 0.67 MAPT (0.49) ALDH1A1POLBPIK3CAMAPTGAA
SCHEMBL5755278 0.67 L3MBTL1 (0.41) ALDH1A1HSP90AA1HSP90AB1PIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11458083-B2 Cosmetic and/or dermatological composition containing a merocyanine derivative comprising specific polar groups consisting of hydroxyl- and ether-functionalities L'OREAL (FR) 2022-10-04 US disclosed
EP-1919443-B1 STABILIZATION OF BODY-CARE AND HOUSEHOLD PRODUCTS AGAINST DEGRADATION BY UV RADIATION USING MEROCYANINE DERIVATIVES BASF SE (DE) 2020-06-10 EP disclosed
EP-2435017-B1 BENZYLIDENE MALONATES BASF SE (DE) 2019-10-23 EP disclosed
EP-3453379-A2 MICROPIGMENT MIXTURES Ciba Holding Inc. (CH) 2019-03-13 EP disclosed
EP-1469819-B1 MICROPIGMENT MIXTURES CIBA HOLDING INC (CH) 2019-01-09 EP disclosed
US-10098849-B2 Anti-radical agents BASF SE (DE) 2018-10-16 US disclosed
EP-2162113-B1 WATER BASED CONCENTRATED PRODUCT FORMS OF OIL-SOLUBLE ORGANIC UV ABSORBERS BASF SE (DE) 2017-08-09 EP disclosed
US-9707417-B2 Use of benzotropolone derivatives as UV absorbers and antioxidants and their use in sunscreens and/or cosmetic compositions BASF SE (DE) 2017-07-18 US disclosed
US-9663442-B2 Stabilization of household, body-care and food products by using benzotropolone containing plant extracts and/or related benzotropolone derivatives BASF SE (DE) 2017-05-30 US disclosed
US-9550730-B2 Merocyanine derivatives BASF SE (DE) 2017-01-24 US disclosed
WO-2003070207-A1 METHOD OF COLOURING KERATIN-CONTAINING FIBRES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-08-28 WO disclosed
WO-2003060015-A1 YELLOW CATIONIC DYES FOR DYING OF ORGANIC MATERIAL CIBA SPECIALITY CHEMICALS HOLDING INC. (CH) 2003-07-24 WO disclosed
WO-2003032939-A1 METHOD OF COLOURING KERATIN-CONTAINING FIBRES USING DIAZONIUM SALTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-04-24 WO disclosed
WO-2003029359-A1 CATIONIC REACTIVE DYES CIBA SPECIALTY CHEMICALS HOLDINGS INC. (CH) 2003-04-10 WO disclosed
CN-1404508-A Gel-form composition SHISEIDO CO LTD (JP) 2003-03-19 CN disclosed
US-6476024-B1 Pyridazine derivatives and related composition SHISEIDO CO. LTD. (JP) 2002-11-05 US disclosed
US-6395896-B2 REACTING AT LEAST 10 WT % OF 4,5-DICHLORO-3-HYDROXYPYRIDAZINE OR 4,5-DIBROMO-3-HYDROXYPYRIDAZINE OR A MIXTURE WITH ATLEAST 20 VOL% OF MORPHOLINE IN A REACTION SOLUTION AT 70 DEGREE C. OR HIGHER; ULTRAVIOLET ABSORBENTS AND PHOTOSTABILIZERS SHISEIDO CO., LTD. (JP) 2002-05-28 US disclosed
CN-1308068-A Pyridazine derivative and its preparation and composite containing the derivative SHISEI CO LTD (JP) 2001-08-15 CN disclosed
US-20010012841-A1 Pyridazine derivatives, manufacturing method and related composition SHISEIDO CO., LTD. (JP) 2001-08-09 US disclosed
EP-1108712-A1 3-Hydroxy-4,5-bis(morpholin-1-yl)pyridazine as UV absorber SHISEIDO COMPANY LIMITED (JP) 2001-06-20 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 (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-11458083-B2 Cosmetic and/or dermatological composition containing a merocyanine derivative comprising specific polar groups consisting of hydroxyl- and ether-functionalities KRT18, LAGE3, TYR ALDH1A1 1018/4885GPR55 1645/4885HSP90AA1 2291/4885
US-20010012841-A1 Pyridazine derivatives, manufacturing method and related composition CYP4F12, CYP4Z1, CYP3A5 ALDH1A1 267/4885GPR55 548/4885HSP90AA1 3225/4885
US-10098849-B2 Anti-radical agents NOS3, GSTO1, TXN2 ALDH1A1 881/4885GPR55 4230/4885HSP90AA1 1798/4885

“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.