SCHEMBL601808

SCHEMBL601808

CCCCCn1c2ccc(C(=O)O)cc2c2ccc(SC)cc21

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.59
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
CNR1 P21554 2/20 0.51
PSEN1 P49768 3/20 0.50
PSEN2 P49810 3/20 0.50
APH1B Q8WW43 3/20 0.50
NCSTN Q92542 3/20 0.50
APH1A Q96BI3 3/20 0.50
PSENEN Q9NZ42 3/20 0.50
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 1/20 0.48

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
SCHEMBL603552 0.87 CNR2 (0.53) CNR2CNR1PSEN1PSEN2APH1B
SCHEMBL2804157 0.86 ALDH1A1 (0.68) CNR2ALDH1A1HPGDCNR1PSEN1
SCHEMBL29677813 0.86 ALDH1A1 (0.68) CNR2ALDH1A1HPGDCNR1PSEN1
SCHEMBL600859 0.84 CNR2 (0.76) CNR2CNR1
SCHEMBL600012 0.84 ALDH1A1 (0.82) CNR2ALDH1A1HPGDCNR1KDM4E
SCHEMBL28818672 0.83 ALDH1A1 (0.59) CNR2ALDH1A1HPGDPSEN1PSEN2
SCHEMBL28225833 0.83 ALDH1A1 (0.80) CNR2ALDH1A1HPGDCNR1KDM4E
SCHEMBL600075 0.82 CNR2 (0.72) CNR2ALDH1A1HPGDCNR1PSEN1
SCHEMBL5999912 0.79 ALDH1A1 (0.54) CNR2ALDH1A1HPGDPSEN1PSEN2
SCHEMBL16120150 0.76 HPGD (0.73) CNR2ALDH1A1HPGDKDM4ENPC1

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-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors THE UNIV OF MONTANA (US) 2017-04-06 US disclosed
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors THE UNIV OF MONTANA (US) 2017-04-06 US disclosed
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors THE UNIV OF MONTANA (US) 2017-04-06 US disclosed
US-20120039804-A1 Novel Tricyclic Modulators of Cannabinoid Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-16 US disclosed
US-20120039804-A1 Novel Tricyclic Modulators of Cannabinoid Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-16 US disclosed
US-20120039804-A1 Novel Tricyclic Modulators of Cannabinoid Receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-16 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-20120039804-A1 Novel Tricyclic Modulators of Cannabinoid Receptors CNR1, CNR2, OPRL1 CNR2 2/4885ALDH1A1 4037/4885HPGD 1882/4885
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors CNR1, CNR2, OPRL1 CNR2 2/4885ALDH1A1 4037/4885HPGD 1882/4885

“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.