Pentane

Pentane

SCHEMBL4557431

CCCCC.NC(O)=S.NC(O)=S

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
LMNA P02545 3/20 0.50
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
AKR1B1 P15121 1/20 0.36
ALOX15 P16050 1/20 0.36
ALDH2 P05091 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
DNM1 Q05193 3/20 0.35

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
Pentane SCHEMBL5474878 1.00 TSHR (0.50) TSHRLMNASPHK2SPHK1ALDH1A1
Pentane SCHEMBL8684247 0.97 TSHR (0.47) TSHRLMNASPHK2SPHK1ALDH1A1
Hexane SCHEMBL8964700 0.93 TSHR (0.47) TSHRLMNASPHK2SPHK1ALDH1A1
Hexane SCHEMBL10419469 0.93 TSHR (0.47) TSHRLMNASPHK2SPHK1ALDH1A1
Tetradecane SCHEMBL7768520 0.90 TSHR (0.53) TSHRLMNASPHK2SPHK1ALDH1A1
Heptane SCHEMBL8664516 0.90 TSHR (0.53) TSHRLMNASPHK2SPHK1ALDH1A1
Dodecane SCHEMBL8374269 0.90 TSHR (0.53) TSHRLMNASPHK2SPHK1ALDH1A1
Hexane SCHEMBL1286231 0.90 TSHR (0.44) TSHRLMNASPHK2SPHK1ALDH1A1
Tridecane SCHEMBL6291874 0.90 TSHR (0.53) TSHRLMNASPHK2SPHK1ALDH1A1
Tetradecane SCHEMBL8432389 0.90 TSHR (0.53) TSHRLMNASPHK2SPHK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1770119-B1 Crosslinkabe elastomer compositions, process for preparation, and use thereof LANXESS DEUTSCHLAND GMBH (DE) 2009-11-25 EP claimed
EP-1770119-A1 Crosslinkabe elastomer compositions, process for preparation, and use thereof Lanxess Deutschland GmbH (DE) 2007-04-04 EP claimed
US-4383903-A POLYFUNCTIONAL AROMATIC CYANATE, ACRYLIC COMPOUND, POLYFUNCTIONAL MALEIMIDE, PHOTOINITIATOR MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1983-05-17 US claimed
JP-10076240-A None JP disclosed
CN-107141510-B Easily dispersing type zinc-base vulcanization accelerator and preparation method thereof 常州市五洲环保科技有限公司 2019-07-12 CN disclosed
CN-107141510-A Easy decentralized zinc-base vulcanization accelerator and preparation method thereof 常州市五洲环保科技有限公司 2017-09-08 CN disclosed
US-9701629-B2 Use of dithiocarbamate esters and bis-dithiocarbamate esters in the preparation of organic-inorganic nanocomposites SONY DEUTSCHLAND GMBH (DE) 2017-07-11 US disclosed
US-20060163564-A1 Use of dithiocarbamate esters and bis-dithiocarbamate esters in the preparation of organic-inorganic nanocomposites SONY DEUTSCHLAND GMBH (DE) 2006-07-27 US disclosed
JP-H1076240-A HEAVY METAL FIXING AGENT NIPPON SODA CO LTD 1998-03-24 JP disclosed
US-4554346-A REACTION WITH UNSATURATED HYDROXY COMPOUND MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1985-11-19 US disclosed
US-4533727-A CYCLIEIED CYANATE TRIMER AS PREPOLYMER UNIT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1985-08-06 US disclosed
US-4383903-A POLYFUNCTIONAL AROMATIC CYANATE, ACRYLIC COMPOUND, POLYFUNCTIONAL MALEIMIDE, PHOTOINITIATOR MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1983-05-17 US disclosed
US-4148799-A Process for the preparation of 2-aryliminothiazoline solutions BAYER AKTIENGESELLSCHAFT (DE) 1979-04-10 US disclosed
US-4060628-A 2-(Alkylhalophenylimino)dithiolanes and ectoparasiticidal composition and method BAYER AKTIENGESELLSCHAFT (DT) 1977-11-29 US disclosed
US-4052211-A DITHIOCARBAMATE, TRITHIOCARBONATE, DITHIOPHOSPHATE, DITHIOXANTHATE, BISMUTHIOL FUJI PHOTO FILM CO., LTD. (JA) 1977-10-04 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 (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-20060163564-A1 Use of dithiocarbamate esters and bis-dithiocarbamate esters in the preparation of organic-inorganic nanocomposites KCNC1, VDAC1, CALCOCO2 TSHR 3571/4885LMNA 1383/4885SPHK2 4242/4885

“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.