SCHEMBL96606

SCHEMBL96606

[CH2]CCC/C=C/c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
IDO1 P14902 2/20 0.45
PAM P19021 1/20 0.45
HTR2A P28223 3/20 0.42
MAOB P27338 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
TBXAS1 P24557 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL96607 1.00 SIGMAR1 (0.46) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL21178175 0.94 SIGMAR1 (0.44) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL1003495 0.92 SIGMAR1 (0.43) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL1003497 0.92 SIGMAR1 (0.43) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL542494 0.92 SIGMAR1 (0.43) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL542493 0.92 SIGMAR1 (0.43) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL95144 0.86 SIGMAR1 (0.48) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL95143 0.86 SIGMAR1 (0.48) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL3240089 0.86 IDO1 (0.52) SIGMAR1IDO1PAMHTR2AMAOB
SCHEMBL3795388 0.84 SIGMAR1 (0.50) SIGMAR1IDO1PAMHTR2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540259-B1 Integrated thermoplastic resin/silicone rubber articles and methods of making them SHINETSU CHEMICAL CO (JP) 1998-03-11 EP claimed
CN-114144302-B Monolithic layered article and method of making same 陶氏环球技术有限责任公司 2024-04-16 CN disclosed
EP-4003727-A1 INTEGRAL LAYERED ARTICLES AND THEIR METHOD OF MANUFACTURE Dow Global Technologies LLC (US) 2022-06-01 EP disclosed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
CN-114144302-A Monolithic layered article and method of making same 陶氏环球技术有限责任公司 2022-03-04 CN disclosed
WO-2021016156-A1 INTEGRAL LAYERED ARTICLES AND THEIR METHOD OF MANUFACTURE DOW GLOBAL TECHNOLOGIES LLC (US) 2021-01-28 WO disclosed
US-20200281951-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-09-10 US disclosed
US-10603331-B2 Method of treating disorders caused by reduced neurotransmission of serotonin, norephnephrine or dopamine OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-03-31 US disclosed
US-20190142852-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-05-16 US disclosed
US-20180258038-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-09-13 US disclosed
US-4886809-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-12-12 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
US-4845100-A WITH HYPOTENSIVE AND ANTIINFLAMMATORY ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-04 US disclosed
CN-1030415-A Saturated heterocycle carboxamide derivatives and its preparation method YAMANOUCHI PHARMA CO LTD (JP) 1989-01-18 CN disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 EP disclosed
EP-0255134-A2 Carbostyril derivatives and salts thereof, process for preparing them, and cardiotonic composition containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-02-03 EP disclosed
EP-0202760-A2 Carbostyril derivatives and salts thereof, processes for preparing the same and cardiotonic composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-11-26 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 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 (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-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C SIGMAR1 310/4885IDO1 747/4885PAM 504/4885
US-20200281951-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE MC2R, SLC6A2, CRH SIGMAR1 270/4885IDO1 1278/4885PAM 784/4885
US-20190142852-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE HCRTR1, NPSR1, NTSR1 SIGMAR1 122/4885IDO1 561/4885PAM 711/4885
US-10603331-B2 Method of treating disorders caused by reduced neurotransmission of serotonin, norephnephrine or dopamine MC2R, PNMT, SLC6A2 SIGMAR1 160/4885IDO1 868/4885PAM 499/4885
US-20180258038-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 SIGMAR1 65/4885IDO1 97/4885PAM 1411/4885

“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.