SCHEMBL17035216

SCHEMBL17035216

CC(C)(C)c1ccc(C(=O)O)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A1 P22736 1/20 0.47
▸ NR4A2 P43354 1/20 0.47
▸ NR4A3 Q92570 1/20 0.47
▸ WDR5 P61964 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ LDHA P00338 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ ATIC P31939 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CDC25B P30305 1/20 0.42
▸ MYC P01106 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ PRNP P04156 1/20 0.39
▸ TYMS P04818 1/20 0.39
▸ KDM6B O15054 1/20 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
SCHEMBL28316714 0.87 NR4A1 (0.46) NR4A1NR4A2NR4A3WDR5KDM4E
SCHEMBL19270314 0.85 KDM4E (0.43) KDM4EALDH1A1HPGDTSHRL3MBTL1
SCHEMBL27782215 0.84 NR4A3 (0.43) NR4A1NR4A2NR4A3WDR5KDM4E
SCHEMBL17035215 0.83 ATM (0.55) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL25736544 0.82 NR4A1 (0.48) NR4A1NR4A2NR4A3WDR5KDM4E
SCHEMBL27782293 0.81 TYMS (0.47) NR4A1NR4A2NR4A3WDR5KDM4E
SCHEMBL29406630 0.81 NR4A1 (0.65) NR4A1NR4A2NR4A3WDR5KDM4E
SCHEMBL28798 0.81 NR4A1 (0.65) NR4A1NR4A2NR4A3WDR5KDM4E
SCHEMBL30838413 0.81 NR4A1 (0.65) NR4A1NR4A2NR4A3WDR5KDM4E
SCHEMBL30838412 0.81 NR4A1 (0.65) NR4A1NR4A2NR4A3WDR5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118108762-A Active ester resin with phosphorus and self-extinguishing characteristic structure, and preparation method and application thereof 四川东材科技集团股份有限公司 2024-05-31 — — CN claimed
CN-118108762-A Active ester resin with phosphorus and self-extinguishing characteristic structure, and preparation method and application thereof 四川东材科技集团股份有限公司 2024-05-31 — — CN disclosed
US-20230331710-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF SHANGHAI MEIYUE BIOTECH DEVELOPMENT CO. LTD (CN) 2023-10-19 — — US disclosed
US-20230331710-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF SHANGHAI MEIYUE BIOTECH DEVELOPMENT CO. LTD (CN) 2023-10-19 — — US disclosed
US-20170240521-A1 PERIPHERALLY-ACTING CANNABINOID RECEPTOR AGONISTS FOR CHRONIC PAIN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-24 — — US disclosed
US-9656981-B2 Peripherally-acting cannabinoid receptor agonists for chronic pain THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-05-23 — — US disclosed
US-9656981-B2 Peripherally-acting cannabinoid receptor agonists for chronic pain THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-05-23 — — US disclosed
US-20150239859-A1 PERIPHERALLY-ACTING CANNABINOID RECEPTOR AGONISTS FOR CHRONIC PAIN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-08-27 — — 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 (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-20230331710-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD AND USE THEREOF C9, CFB, C5 NR4A1 1250/4885NR4A2 2325/4885NR4A3 3001/4885
US-20150239859-A1 PERIPHERALLY-ACTING CANNABINOID RECEPTOR AGONISTS FOR CHRONIC PAIN CNR2, CNR1, OPRL1 NR4A1 555/4885NR4A2 711/4885NR4A3 535/4885
US-20170240521-A1 PERIPHERALLY-ACTING CANNABINOID RECEPTOR AGONISTS FOR CHRONIC PAIN CNR2, CNR1, OPRL1 NR4A1 555/4885NR4A2 711/4885NR4A3 535/4885

“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.

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