SCHEMBL600012

SCHEMBL600012

CCCCCn1c2ccccc2c2cc(C(=O)O)ccc21

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.82
HPGD P15428 1/20 0.82
CNR2 P34972 16/20 0.81
CNR1 P21554 1/20 0.69
NPC1 O15118 1/20 0.66
KDM4E B2RXH2 2/20 0.65

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
SCHEMBL28225833 0.99 ALDH1A1 (0.80) ALDH1A1HPGDCNR2CNR1NPC1
SCHEMBL2804157 0.92 ALDH1A1 (0.68) ALDH1A1HPGDCNR2CNR1NPC1
SCHEMBL29677813 0.92 ALDH1A1 (0.68) ALDH1A1HPGDCNR2CNR1NPC1
SCHEMBL16098077 0.90 HPGD (1.00) ALDH1A1HPGDCNR2CNR1NPC1
SCHEMBL601022 0.90 CNR2 (1.00) ALDH1A1HPGDCNR2CNR1NPC1
SCHEMBL28050802 0.89 CNR2 (0.77) ALDH1A1HPGDCNR2CNR1NPC1
SCHEMBL28394599 0.88 CNR2 (0.75) ALDH1A1HPGDCNR2CNR1NPC1
SCHEMBL28050803 0.88 CNR2 (0.75) ALDH1A1HPGDCNR2CNR1NPC1
SCHEMBL28053878 0.88 CNR2 (0.75) ALDH1A1HPGDCNR2CNR1NPC1
SCHEMBL28386085 0.88 CNR2 (0.75) ALDH1A1HPGDCNR2CNR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227332-B2 T-type calcium channel modulator and uses thereof UTI LIMITED PARTNERSHIP (CA) 2019-03-12 US disclosed
US-20170233374-A1 T-TYPE CALCIUM CHANNEL MODULATOR AND USES THEREOF UTI LIMITED PARTNERSHIP (CA) 2017-08-17 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-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors THE UNIV OF MONTANA (US) 2017-04-06 US disclosed
WO-2016073160-A1 T-TYPE CALCIUM CHANNEL MODULATOR AND USES THEREOF UTI LIMITED PARTNERSHIP (CA) 2016-05-12 WO 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 (4 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 ALDH1A1 4037/4885HPGD 1882/4885CNR2 2/4885
US-10227332-B2 T-type calcium channel modulator and uses thereof CACNA1E, CACNA1G, TRPC6 ALDH1A1 3576/4885HPGD 4350/4885CNR2 80/4885
US-20170233374-A1 T-TYPE CALCIUM CHANNEL MODULATOR AND USES THEREOF CACNA1E, CACNA1G, TRPC6 ALDH1A1 3513/4885HPGD 4338/4885CNR2 76/4885
US-20170096426-A1 Novel Tricyclic Modulators of Cannabinoid Receptors CNR1, CNR2, OPRL1 ALDH1A1 4037/4885HPGD 1882/4885CNR2 2/4885

“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.