SCHEMBL17414489

SCHEMBL17414489

CC1(C)C=C(C(C)(C)C)c2ccccc2O1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
OPRD1 P41143 2/20 0.31
KCNH2 Q12809 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 1/20 0.31
OPRK1 P41145 1/20 0.30
RAD52 P43351 1/20 0.30
IDO1 P14902 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL7732592 0.76 PTGES (0.35)
SCHEMBL6535545 0.75 ALDH1A1 (0.41) OPRD1KCNH2ALDH1A1MAPTHPGD
SCHEMBL7738968 0.70 ALDH1A1 (0.35) OPRD1KCNH2ALDH1A1MAPTHPGD
SCHEMBL8795164 0.69 ALDH1A1 (0.33) OPRD1KCNH2ALDH1A1MAPTHPGD
SCHEMBL10653044 0.69 OPRD1 (0.33) OPRD1KCNH2ALDH1A1MAPTHPGD
SCHEMBL10652225 0.69 ALDH1A1 (0.32) OPRD1KCNH2ALDH1A1MAPTHPGD
SCHEMBL17746831 0.67 LPL (0.39) ALDH1A1MAPTHPGDGLA
SCHEMBL9845357 0.66 OPRD1 (0.45) OPRD1KCNH2ALDH1A1MAPTHPGD
SCHEMBL10306737 0.65 PDK2 (0.41) POLBGPR55ALDH1A1
SCHEMBL9525700 0.65 KDM4E (0.39) ATMPOLBOPRD1KCNH2ALDH1A1

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
US-10968206-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2021-04-06 US disclosed
US-20190225596-A1 Cannabinergic Nitrate Esters And Related Analogs NORTHEASTERN UNIVERSITY 2019-07-25 US disclosed
US-10221164-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2019-03-05 US disclosed
US-20170210728-A1 Cannabinergic Nitrate Esters And Related Analogs NORTHEASTERN UNIVERSITY 2017-07-27 US disclosed
US-20170210728-A1 Cannabinergic Nitrate Esters And Related Analogs NORTHEASTERN UNIVERSITY 2017-07-27 US disclosed
US-9580400-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2017-02-28 US disclosed
US-9580400-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2017-02-28 US disclosed
US-20160002195-A1 CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 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 (5 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-20160002195-A1 CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS CNR2, CNR1, CHRNB3 ATM 3924/4885POLB 2399/4885GPR55 273/4885
US-10968206-B2 Cannabinergic nitrate esters and related analogs CNR2, CNR1, CHRNB3 ATM 3924/4885POLB 2399/4885GPR55 273/4885
US-10221164-B2 Cannabinergic nitrate esters and related analogs CNR2, CNR1, CHRNB3 ATM 3924/4885POLB 2399/4885GPR55 273/4885
US-20190225596-A1 Cannabinergic Nitrate Esters And Related Analogs CNR2, CNR1, CHRNB3 ATM 3924/4885POLB 2399/4885GPR55 273/4885
US-20170210728-A1 Cannabinergic Nitrate Esters And Related Analogs CNR2, CNR1, CHRNB3 ATM 3924/4885POLB 2399/4885GPR55 273/4885

“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.