SCHEMBL981190

SCHEMBL981190

O=C1OCCC1=Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
KMT2A Q03164 1/20 0.71
DYRK1A Q13627 7/20 0.65
DYRK1B Q9Y463 7/20 0.65
MAPT P10636 2/20 0.65
DYRK2 Q92630 4/20 0.60
CYP1A2 P05177 2/20 0.59
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
F3 P13726 1/20 0.55
CLK1 P49759 2/20 0.54
HTT P42858 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ATM Q13315 1/20 0.53
ALOX5 P09917 1/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
MAOB P27338 2/20 0.49

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
SCHEMBL3526528 1.00 ALDH1A1 (1.00) ALDH1A1KMT2ADYRK1ADYRK1BMAPT
SCHEMBL981479 0.89 ALDH1A1 (0.79) ALDH1A1KMT2ADYRK1ADYRK1BMAPT
SCHEMBL4950825 0.87 ALDH1A1 (0.77) ALDH1A1KMT2ADYRK1ADYRK1BMAPT
SCHEMBL13163231 0.85 ALDH1A1 (0.73) ALDH1A1KMT2ADYRK1ADYRK1BMAPT
SCHEMBL9490046 0.83 KMT2A (1.00) ALDH1A1KMT2ADYRK1ADYRK1BMAPT
SCHEMBL980397 0.79 ALDH1A1 (0.66) ALDH1A1KMT2AMAPTCYP1A2F3
SCHEMBL17147752 0.79 ALDH1A1 (0.65) ALDH1A1KMT2ADYRK1ADYRK1BMAPT
SCHEMBL20358014 0.79 ALDH1A1 (0.65) ALDH1A1KMT2ADYRK1ADYRK1BMAPT
SCHEMBL27260229 0.79 DYRK1A (1.00) ALDH1A1KMT2ADYRK1ADYRK1BMAPT
SCHEMBL9566863 0.79 DYRK1A (1.00) ALDH1A1KMT2ADYRK1ADYRK1BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006052985-A1 LACTONES AS NEW OXYGENATE FUEL ADDITIVES, FUELS BASED THEREON AND METHODS FOR USING SAME THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-05-18 WO claimed
US-20060096158-A1 Lactones as new oxygenate fuel additives, fuels based thereon and methods for using same ROBINSON J M 2006-05-11 US claimed
US-3993771-A FUNGICIDES; ALPHA-BENZYLIDINE-GAMMA-BUTYROLACTONE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-11-23 US claimed
JP-61057572-A None JP disclosed
JP-61057571-A None JP disclosed
JP-55147204-A None JP disclosed
EP-2709977-B1 USE OF BENZOTROPOLONE DERIVATIVES AS PHOTOSTABILIZER AND ANTIOXIDANT FOR STABILIZATION OF BODY-CARE AND HOUSEHOLD PRODUCTS. BASF SE (DE) 2018-09-05 EP 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-20150353470-A1 STABILIZATION OF HOUSEHOLD, BODY-CARE AND FOOD PRODUCTS BY USING BENZOTROPOLONE CONTAINING PLANT EXTRACTS AND/OR RELATED BENZOTROPOLONE DERIVATIVES BASF SE (DE) 2015-12-10 US disclosed
US-9068080-B2 Merocyanine derivatives BASF SE (DE) 2015-06-30 US disclosed
EP-2350036-B1 METHYLENE FURANONE DERIVATIVES AND USE OF SAID DERIVATIVES AS A PHOTOPROTECTING OR ANTIOXIDANT OR DEPIGMENTATION AGENT IN COSMETIC OR DERMATOLOGICAL COMPOSITIONS PIERRE FABRE DERMO COSMÉTIQUE (FR) 2015-04-15 EP disclosed
US-5231192-A Reacting an a-acyl lactone, an aldehyde and an alkali metal hydroxide; hydrogenation HENKEL CORPORATION (US) 1993-07-27 US disclosed
WO-1992010487-A1 PROCESS FOR CONVERTING α-ACYL-SUBSTITUTED LACTONES TO α-ALKYLIDENE-SUBSTITUTED LACTONES HENKEL CORPORATION (US) 1992-06-25 WO disclosed
WO-1992009590-A1 PROCESS FOR THE PREPARATION OF α-ALKYL LACTONES HENKEL CORPORATION (US) 1992-06-11 WO disclosed
US-4980342-A Process for the preparation of α-alkyl lactones HENKEL CORPORATION (US) 1990-12-25 US disclosed
JP-S6157571-A NOVEL ALPHA-BENZYLIDENE-GAMMA-BUTYROLACTONE DERIVATIVE KANEGAFUCHI CHEM IND CO LTD 1986-03-24 JP disclosed
JP-S6157572-A NOVEL ALPHA-BENZYLIDENE-GAMMA-BUTYROLACTONE DERIVATIVE KANEGAFUCHI CHEM IND CO LTD 1986-03-24 JP disclosed
JP-S55147204-A FUNGICIDE COMPOSITION FOR RICE CROP SUMITOMO CHEM CO LTD 1980-11-17 JP disclosed
US-3993771-A FUNGICIDES; ALPHA-BENZYLIDINE-GAMMA-BUTYROLACTONE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-11-23 US disclosed
US-3993771-A FUNGICIDES; ALPHA-BENZYLIDINE-GAMMA-BUTYROLACTONE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-11-23 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 (1 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-20150353470-A1 STABILIZATION OF HOUSEHOLD, BODY-CARE AND FOOD PRODUCTS BY USING BENZOTROPOLONE CONTAINING PLANT EXTRACTS AND/OR RELATED BENZOTROPOLONE DERIVATIVES CBR3, CBR1, CYP8B1 ALDH1A1 2862/4885KMT2A 3226/4885DYRK1A 3591/4885

“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.