SCHEMBL3596579

SCHEMBL3596579

CC(C)(CN)c1cc[c]cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.60
SHBG P04278 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL6562809 0.82 TAAR1 (0.75) TAAR1SHBGNPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL6563360 0.79 TAAR1 (0.71) TAAR1SHBGNPC1MAPTRAB9A
SCHEMBL578291 0.78 NPC1 (0.44) TAAR1NPC1MAPTRAB9A
SCHEMBL18706249 0.77 TAAR1 (0.35) TAAR1
SCHEMBL27666552 0.76
SCHEMBL317457 0.76 CNR1 (0.38) TAAR1SHBGESR1ESR2
SCHEMBL1032610 0.76 TAAR1 (0.33) TAAR1SHBGESR1ESR2
SCHEMBL236446 0.76 SHBG (0.56) TAAR1SHBGMAPTESR1ESR2
SCHEMBL21684968 0.76 TAAR1 (0.33) TAAR1SHBGESR1ESR2
SCHEMBL16035570 0.76 TAAR1 (0.33) TAAR1SHBGESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US claimed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP claimed
WO-2018151678-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-08-23 WO claimed
CN-108419435-A Compound and epigenetics for treating cancer 新加坡科技研究局 2018-08-17 CN claimed
CN-108348871-A Highly branched, non-crosslinked aerogels, method for the production thereof and use thereof 蓝移材料有限公司 2018-07-31 CN claimed
WO-2017061957-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-04-13 WO claimed
CN-100469817-C Methods for the preparation of poly(etherimides)s GEN ELECTRIC (US) 2009-03-18 CN claimed
CN-1615331-A Methods for the preparation of poly(etherimides)s GEN ELECTRIC (US) 2005-05-11 CN claimed
CN-109563103-A modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto 艾尼纳制药公司 2019-04-02 CN disclosed
US-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 US disclosed
CN-106165164-B Method for manufacturing electrode 宇部兴产株式会社 2019-01-22 CN disclosed
EP-3371151-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS Agency For Science, Technology And Research (SG) 2018-09-12 EP disclosed
WO-2018151678-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-08-23 WO disclosed
CN-108419435-A Compound and epigenetics for treating cancer 新加坡科技研究局 2018-08-17 CN disclosed
CN-1845959-A Flame retardant thermoplastic films and methods of making the same GEN ELECTRIC (US) 2006-10-11 CN disclosed
CN-1791641-A Flame resistant thermoplastic composition, articles thereof and method of making articles GEN ELECTRIC (US) 2006-06-21 CN disclosed
US-20060019822-A1 Palladium catalyst composition JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2006-01-26 US disclosed
CN-1681592-A Palladium catalyst composition WAKO PURE CHEMICAL INDUSTIES L (JP) 2005-10-12 CN disclosed
EP-1537913-A1 PALLADIUM CATALYST COMPOSITION Wako Pure Chemical Industies, Ltd. (JP) 2005-06-08 EP disclosed
CN-1615331-A Methods for the preparation of poly(etherimides)s GEN ELECTRIC (US) 2005-05-11 CN 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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 TAAR1 3566/4885SHBG 3654/4885NPC1 2706/4885
US-20060019822-A1 Palladium catalyst composition ODC1, NUDC, ADH1C TAAR1 2927/4885SHBG 4819/4885NPC1 765/4885

“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.