SCHEMBL767242

SCHEMBL767242

Cc1ccc(C(=O)CC=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
GSK3B P49841 1/20 0.57
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 6/20 0.50
LMNA P02545 2/20 0.50
PKM P14618 2/20 0.50
HTT P42858 2/20 0.50
ATM Q13315 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
NLRP1 Q9C000 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
NTSR1 P30989 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HDAC3 O15379 4/20 0.49
HDAC4 P56524 4/20 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
SCHEMBL14295032 0.91 SRD5A2 (0.54) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL14388863 0.81 GSK3B (0.55) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL4966553 0.80 NPC1 (0.56) NPC1RAB9AALDH1A1LMNAPKM
SCHEMBL6832412 0.80 TSHR (0.55) KMT2AALDH1A1SMN1; SMN2CES2CES1
SCHEMBL2559266 0.79 ALDH1A1 (0.55) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL2118360 0.79 KMT2A (0.66) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL8975154 0.78 HDAC1 (0.61) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL29242031 0.78 TPMT (0.48) KMT2AGSK3BNPC1RAB9AALDH1A1
SCHEMBL2562885 0.78 GSK3B (0.59) GSK3BNPC1RAB9AALDH1A1LMNA
SCHEMBL2561194 0.78 NPC1 (0.57) KMT2ANPC1RAB9AMEN1ALDH1A1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3800184-B1 ACETAL / KETAL-BASED FRAGRANCE AND INSECT REPELLENT PRECURSOR COMPOUNDS HENKEL AG & CO KGAA (DE) 2024-04-03 EP claimed
CN-111961004-B Method for preparing medical intermediate 2, 4, 6-triaryl pyrimidine derivative through catalysis 马鞍山市泰博化工科技有限公司 2021-11-12 CN claimed
CN-106654332-B Organic phase electrolyte and application thereof in cathode of flow battery 天津大学 2021-04-27 CN claimed
CN-119409676-A Preparation method for synthesizing chiral beta-hydroxy propanal ethylene glycol with high enantioselectivity 贵州金之键高科技材料股份有限公司 2025-02-11 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
CN-106654332-B Organic phase electrolyte and application thereof in cathode of flow battery 天津大学 2021-04-27 CN disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-9074109-B2 Fluorine-containing polymer, the preparation process and use thereof, pigment dispersion and the preparation process BOE TECHNOLOGY GROUP CO., LTD. (CN) 2015-07-07 US disclosed
US-20140142220-A1 FLUORINE-CONTAINING POLYMER, THE PREPARATION PROCESS AND USE THEREOF, PIGMENT DISPERSION AND THE PREPARATION PROCESS BOE TECHNOLOGY GROUP CO., LTD. (CN) 2014-05-22 US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2619200-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-07-31 EP disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2012040511-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-29 WO disclosed
US-20120071516-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-22 US disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-4784985-A PERFUMES BASF AKTIENGESELLSCHAFT (DE) 1988-11-15 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-20120071516-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KMT2A 4706/4885GSK3B 1346/4885NPC1 262/4885

“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.