SCHEMBL2369713

SCHEMBL2369713

CC(Cc1ccccc1)CC(C)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.62
SIGMAR1 Q99720 3/20 0.53
TAAR1 Q96RJ0 7/20 0.48
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
MAOA P21397 1/20 0.48
CYP2A6 P11509 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
SLC18A2 Q05940 1/20 0.45
CYP2D6 P10635 1/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
CNR1 P21554 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
SCHEMBL14225884 0.84 TRPA1 (0.46) TRPA1SIGMAR1TAAR1SLC6A2SLC6A4
SCHEMBL8072287 0.84 SIGMAR1 (0.58) TRPA1SIGMAR1TAAR1SLC6A2SLC6A4
SCHEMBL8983689 0.82 TAAR1 (0.56) TRPA1SIGMAR1TAAR1SLC6A2SLC6A4
SCHEMBL14799062 0.82 TAAR1 (0.56) TRPA1SIGMAR1TAAR1SLC6A2SLC6A4
SCHEMBL535702 0.82 TAAR1 (0.56) TRPA1SIGMAR1TAAR1SLC6A2SLC6A4
Ammonia Solution, Strong SCHEMBL5082413 0.80 TAAR1 (0.54) TRPA1SIGMAR1TAAR1SLC6A2SLC6A4
SCHEMBL7394097 0.80 TAAR1 (0.54) TRPA1SIGMAR1TAAR1SLC6A2SLC6A4
SCHEMBL11880796 0.80 TAAR1 (0.55) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL3672929 0.79 TRPA1 (0.67) TRPA1TAAR1SLC6A3ADRA2BHTR2A
SCHEMBL4785594 0.79 SIGMAR1 (0.64) TRPA1SIGMAR1TAAR1SLC6A2SLC6A4

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6967229-B2 Carbon-carbon initiators for use in golf balls ACUSHNET COMPANY (US) 2005-11-22 US claimed
US-20050009992-A1 Carbon-carbon initiators for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-01-13 US claimed
CN-1193993-A Cleaning composition containing an aliphatic hydrocarbon compound with at least two aromatic substituents RHODIA CHEMIC S A (FR) 1998-09-23 CN claimed
US-9056227-B2 Golf ball comprising a core having a shallow hardness gradient ACUSHNET COMPANY (US) 2015-06-16 US disclosed
US-8968117-B2 Dual-core comprising zero gradient center and positive gradient outer core layer ACUSHNET COMPANY (US) 2015-03-03 US disclosed
US-20130109504-A1 DUAL-CORE COMPRISING ZERO GRADIENT CENTER AND POSITIVE GRADIENT OUTER CORE LAYER ACUSHNET COMPANY (US) 2013-05-02 US disclosed
US-20130109506-A1 GOLF BALL COMPRISING A CORE HAVING A SHALLOW HARDNESS GRADIENT ACUSHNET COMPANY (US) 2013-05-02 US disclosed
US-20130012432-A1 Peptides for Treatment of Obesity NOVO NORDISK A/S (DK) 2013-01-10 US disclosed
EP-2539364-A1 PEPTIDES FOR TREATMENT OF OBESITY Novo Nordisk A/S (DK) 2013-01-02 EP disclosed
WO-2011104378-A1 PEPTIDES FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2011-09-01 WO disclosed
WO-2011104379-A1 PEPTIDES FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2011-09-01 WO disclosed
WO-2008057645-A1 PREPARATION OF HIGH ASSAY DECABROMODIPHENYLALKANE ALBEMARLE CORPORATION (US) 2008-05-15 WO disclosed
US-20080108855-A1 PREPARATION OF HIGH ASSAY DECABROMODIPHENYLALKANE ALBEMARLE CORPORATION (US) 2008-05-08 US disclosed
US-6967229-B2 Carbon-carbon initiators for use in golf balls ACUSHNET COMPANY (US) 2005-11-22 US disclosed
US-20050009992-A1 Carbon-carbon initiators for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-01-13 US disclosed
EP-0717098-B1 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON MITSUBISHI OIL CORP (JP) 2004-01-21 EP disclosed
US-5817251-A AROMATIC HYDROCARBON LUBRICANT NIPPON OIL CO., LTD. (JP) 1998-10-06 US disclosed
CN-1193993-A Cleaning composition containing an aliphatic hydrocarbon compound with at least two aromatic substituents RHODIA CHEMIC S A (FR) 1998-09-23 CN disclosed
US-5711895-A Fluid composition for use in a refrigerating machine in which the refrigerating machine oil is at least one hydrocarbon compound of a formula consisting of two phenyl groups joined through an alkylene or alkenylene group NIPPON OIL CO., LTD. (JP) 1998-01-27 US disclosed
EP-0717098-A2 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON OIL CO. LTD. (JP) 1996-06-19 EP 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-20130012432-A1 Peptides for Treatment of Obesity MC4R, GIPR, MC3R TRPA1 1235/4885SIGMAR1 1168/4885TAAR1 325/4885

“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.