SCHEMBL515424

SCHEMBL515424

CC=C(CC)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
ESR1 P03372 3/20 0.42
ESR2 Q92731 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC3 O15379 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
CYP19A1 P11511 1/20 0.41
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39

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
SCHEMBL6027480 1.00 ATM (0.48) ATMCES2CES1ESR1ESR2
SCHEMBL515423 1.00 ATM (0.48) ATMCES2CES1ESR1ESR2
SCHEMBL498532 0.83 ATM (0.52) ATMCES2CES1ESR1ESR2
SCHEMBL7803887 0.81 CES2 (0.50) ATMCES2CES1ESR1HDAC1
SCHEMBL16787362 0.81 ATM (0.45) ATMCES2CES1ESR1ESR2
SCHEMBL17188467 0.81 MAOA (0.57) ATMCES2CES1ESR1ESR2
SCHEMBL17188465 0.81 ATM (0.45) ATMCES2CES1ESR1ESR2
SCHEMBL22567026 0.81 ATM (0.45) ATMCES2CES1ESR1ESR2
SCHEMBL6159704 0.81 ATM (0.45) ATMCES2CES1ESR1ESR2
SCHEMBL7803886 0.81 CES2 (0.50) ATMCES2CES1ESR1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240044832-A1 METHODS FOR DIAGNOSING CANCER BASED ON VOLATILE ORGANIC COMPOUNDS IN BLOOD AND URINE SAMPLES TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LIMITED (IL) 2024-02-08 US claimed
EP-4264260-A1 METHODS FOR DIAGNOSING CANCER BASED ON VOLATILE ORGANIC COMPOUNDS IN BLOOD AND URINE SAMPLES TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2023-10-25 EP claimed
WO-2022137232-A1 METHODS FOR DIAGNOSING CANCER BASED ON VOLATILE ORGANIC COMPOUNDS IN BLOOD AND URINE SAMPLES TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LIMITED (IL) 2022-06-30 WO claimed
CN-113136239-B Utilization method of ethylene cracking tar and application of compound containing carbon-carbon double bond 清华大学 2022-05-13 CN claimed
US-11224241-B2 Methods and compositions for affecting the flavor and aroma profile of consumables IMPOSSIBLE FOODS INC. (US) 2022-01-18 US claimed
US-11219232-B2 Methods and compositions for affecting the flavor and aroma profile of consumables IMPOSSIBLE FOODS INC. (US) 2022-01-11 US claimed
US-11040925-B2 3-(5-substituted-4-oxoquinazolin-3(4H)-yl)-3-deutero-piperidine-2,6-dione derivatives and compositions comprising and methods of using the same DEUTERX, LLC (US) 2021-06-22 US claimed
US-20190330124-A1 3-(5-SUBSTITUTED-4-OXOQUINAZOLIN-3(4H)-YL)-3-DEUTERO-PIPERIDINE-2,6-DIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SALARIUS PHARMACEUTICALS, INC. 2019-10-31 US claimed
US-10327464-B2 Methods and compositions for affecting the flavor and aroma profile of consumables IMPOSSIBLE FOODS INC. (US) 2019-06-25 US claimed
US-10314325-B2 Methods and compositions for affecting the flavor and aroma profile of consumables IMPOSSIBLE FOODS INC. (US) 2019-06-11 US claimed
EP-2943201-A1 3-(5-SUBSTITUTED-4-OXOQUINAZOLIN-3(4H)-YL)-3-DEUTERO-PIPERIDINE-2,6-DIONE DERIVATIVES Deuterx, LLC (US) 2015-11-18 EP claimed
WO-2014110558-A1 3-(5-SUBSTITUTED-4-OXOQUINAZOLIN-3(4H)-YL)-3-DEUTERO-PIPERIDINE-2,6-DIONE DERIVATIVES DEUTERX, LLC (US) 2014-07-17 WO claimed
US-20110288191-A1 MACROPOROUS ABSORBENT RESIN FOR EXTRACTING CEPHALOSPORIN C AND METHOD OF PREPARATION WANG LING (CN) 2011-11-24 US claimed
EP-2319618-A1 MACROPOROUS ADSORPTION RESIN SPECIAL FOR EXTRACTING CEPHALOSPORIN C AND ITS PREPARATION METHOD Shandong Lukang Record Pharmaceutical Co., Ltd (CN) 2011-05-11 EP claimed
CN-1291977-C Polysubstituted quinazine derivative funcional material, and preparing method and thereof UNIV FUDAN (CN) 2006-12-27 CN claimed
CN-1528748-A Polysubstituted quinazine derivative funcional material, and preparing method and thereof 复旦大学 2004-09-15 CN claimed
EP-0992559-B1 Flame retardant adhesive composition DU PONT (US) 2003-10-15 EP claimed
EP-2943072-B2 METHODS FOR AFFECTING THE FLAVOUR AND AROMA PROFILE OF CONSUMABLES IMPOSSIBLE FOODS INC (US) 2025-04-30 EP disclosed
US-3975278-A Tractants comprising linear dimers of α-alkyl styrene MONSANTO COMPANY (US) 1976-08-17 US disclosed
US-3946081-A OXIDATION CATALYSTS, GROUP V, VI, OR VII OXIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 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 (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-11040925-B2 3-(5-substituted-4-oxoquinazolin-3(4H)-yl)-3-deutero-piperidine-2,6-dione derivatives and compositions comprising and methods of using the same IL5, TLR5, IDO1 ATM 3544/4885CES2 4618/4885CES1 3731/4885
US-20190330124-A1 3-(5-SUBSTITUTED-4-OXOQUINAZOLIN-3(4H)-YL)-3-DEUTERO-PIPERIDINE-2,6-DIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME IL5, TLR5, IDO1 ATM 3544/4885CES2 4618/4885CES1 3731/4885

“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.