SCHEMBL9503968

SCHEMBL9503968

COC(=O)C(C)(C)c1ccc2cc(OC)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
KDM4E B2RXH2 2/20 0.49
AKR1C3 P42330 5/20 0.45
AKR1C2 P52895 5/20 0.45
PTGS1 P23219 3/20 0.45
MAPT P10636 2/20 0.45
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2A6 P11509 1/20 0.44
PTGS2 P35354 3/20 0.44
LMNA P02545 2/20 0.44
CDC42 P60953 1/20 0.44
RAC1 P63000 1/20 0.44
TSHR P16473 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
APEX1 P27695 1/20 0.44

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
SCHEMBL8719159 0.85 KDM4E (0.47) KDM4EAKR1C3AKR1C2PTGS1MAPT
SCHEMBL8719156 0.85 KDM4E (0.47) KDM4EAKR1C3AKR1C2PTGS1MAPT
SCHEMBL505821 0.85 AKR1C3 (0.55) KDM4EAKR1C3AKR1C2PTGS1CYP1A2
SCHEMBL31462432 0.85 AKR1C3 (0.55) KDM4EAKR1C3AKR1C2PTGS1CYP1A2
SCHEMBL8187459 0.84 MAPT (0.56) CNR1CNR2KDM4EMAPTLMNA
SCHEMBL8473303 0.83 KDM4E (0.49) KDM4EAKR1C3AKR1C2PTGS1MAPT
SCHEMBL11313823 0.81 KDM4E (0.44) KDM4EAKR1C3AKR1C2PTGS1MAPT
SCHEMBL3507981 0.81 NPC1 (0.49) CNR1CNR2MAPTLMNATSHR
SCHEMBL2698234 0.81 ALDH1A1 (0.53) CNR1CNR2KDM4EALDH1A1NPC1
SCHEMBL8473311 0.79 KDM4E (0.47) KDM4EAKR1C3AKR1C2PTGS1HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150183737-A1 COMPOSITIONS AND METHODS FOR SUBSTRATE-SELECTIVE INHIBITION OF ENDOCANNABINOID OXYGENATION NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-07-02 US disclosed
US-5250693-A Lipoxygenase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-05 US disclosed
EP-0547148-A1 NAPHTHALENEPROPIONIC ACID DERIVATIVES AS ANTI-INFLAMMATORY/ANTIALLERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-06-23 EP disclosed
US-5208344-A Benzothiazole derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1993-05-04 US disclosed
WO-1992004325-A1 NAPHTHALENEPROPIONIC ACID DERIVATIVES AS ANTI-INFLAMMATORY/ANTIALLERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1992-03-19 WO disclosed
US-5084575-A Drugs for the treatment of rhinitis, asthma and skin disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-01-28 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-20150183737-A1 COMPOSITIONS AND METHODS FOR SUBSTRATE-SELECTIVE INHIBITION OF ENDOCANNABINOID OXYGENATION CNR2, FAAH2, FAAH CNR1 4/4885CNR2 1/4885KDM4E 2302/4885

“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.