Hexane

Hexane

SCHEMBL9399052

CCCCCC.CCCCCCC(N)C(N)N

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.55
CYP2D6 P10635 2/20 0.52
SPHK1 Q9NYA1 2/20 0.52
LMNA P02545 2/20 0.52
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.52
GMNN O75496 1/20 0.52
POLB P06746 1/20 0.52
THPO P40225 1/20 0.52
MTOR P42345 1/20 0.52
BLM P54132 1/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CETP P11597 1/20 0.52
HTT P42858 1/20 0.52
UBE2N P61088 1/20 0.52
LAP3 P28838 2/20 0.46
PLA2G1B P04054 1/20 0.46
PLA2G2A P14555 1/20 0.46

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
SCHEMBL12522138 1.00 OPRM1 (0.55) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL7708040 0.88
SCHEMBL3974471 0.88 OPRM1 (0.60) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL444477 0.88 OPRM1 (0.60) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL24017129 0.88 OPRM1 (0.60) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL24017118 0.88 OPRM1 (0.60) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL16432729 0.88 OPRM1 (0.60) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL11454917 0.88 OPRM1 (0.60) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL8934995 0.88 OPRM1 (0.60) OPRM1CYP2D6SPHK1LMNATP53
SCHEMBL450612 0.88 OPRM1 (0.60) OPRM1CYP2D6SPHK1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5332435-A Addition-condensation copolymer WESTVACO CORPORATION (US) 1994-07-26 US claimed
EP-3033066-B1 POLYUREA OR POLYURETHANE CAPSULES INT FLAVORS & FRAGRANCES INC (US) 2023-07-12 EP disclosed
US-20230172820-A1 Compositions Containing Microcapsules INTERNATIONAL FLAVORS & FRAGRANCES INC. 2023-06-08 US disclosed
US-11602494-B2 Compositions containing microcapsules coated with deposition proteins INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2023-03-14 US disclosed
US-20220226208-A1 POLYUREA CAPSULES PREPARED WITH A POLYISOCYANATE AND CROSS-LINKING AGENT INTERNATIONAL FLAVORS & FRAGRANCES INC. 2022-07-21 US disclosed
US-20220008299-A1 Compositions Containing Microcapsules Coated with Deposition Proteins INTERNATIONAL FLAVORS & FRAGRANCES INC. 2022-01-13 US disclosed
US-11129778-B2 Compositions containing microcapsules coated with deposition proteins INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2021-09-28 US disclosed
US-20200281826-A1 COMPOSITIONS CONTAINING MICROCAPSULES COATED WITH DEPOSITION PROTEINS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2020-09-10 US disclosed
US-10695272-B2 Compositions containing microcapsules coated with deposition proteins INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2020-06-30 US disclosed
US-20200170895-A1 POLYUREA CAPSULE COMPOSITIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2020-06-04 US disclosed
US-20200046616-A1 POLYUREA OR POLYURETHANE CAPSULES INTERNATIONAL FLAVORS & FRAGRANCES INC. 2020-02-13 US disclosed
US-10092486-B2 Polyurea or polyurethane capsules INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2018-10-09 US disclosed
US-20180250204-A1 COMPOSITIONS CONTAINING MICROCAPSULES COATED WITH DEPOSITION PROTEINS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2018-09-06 US disclosed
US-9974720-B2 Compositions containing microcapsules coated with deposition proteins INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2018-05-22 US disclosed
US-20170189283-A1 COMPOSITIONS CONTAINING MICROCAPSULES COATED WITH DEPOSITION PROTEINS INTERNATIONAL FLAVORS AND FRAGRANCES INC. 2017-07-06 US disclosed
US-20160193122-A1 POLYUREA OR POLYURETHANE CAPSULES INTERNATIONAL FLAVORS AND FRAGRANCES INC. 2016-07-07 US disclosed
US-5332435-A Addition-condensation copolymer WESTVACO CORPORATION (US) 1994-07-26 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 (13 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-20220226208-A1 POLYUREA CAPSULES PREPARED WITH A POLYISOCYANATE AND CROSS-LINKING AGENT UMPS, PUF60, GNE OPRM1 2347/4885CYP2D6 2120/4885SPHK1 4389/4885
US-20160193122-A1 POLYUREA OR POLYURETHANE CAPSULES PARG, MUS81, CCNY OPRM1 950/4885CYP2D6 3403/4885SPHK1 3710/4885
US-20200046616-A1 POLYUREA OR POLYURETHANE CAPSULES PUF60, PARG, UMPS OPRM1 1358/4885CYP2D6 3380/4885SPHK1 4300/4885
US-10092486-B2 Polyurea or polyurethane capsules PARG, MUS81, CCNY OPRM1 950/4885CYP2D6 3403/4885SPHK1 3710/4885
US-20220008299-A1 Compositions Containing Microcapsules Coated with Deposition Proteins AUP1, CAPG, TTR OPRM1 4633/4885CYP2D6 4857/4885SPHK1 3546/4885
US-10695272-B2 Compositions containing microcapsules coated with deposition proteins SAAL1, AUP1, FABP5 OPRM1 3111/4885CYP2D6 4807/4885SPHK1 2005/4885
US-20230172820-A1 Compositions Containing Microcapsules COPE, SAAL1, AUP1 OPRM1 2808/4885CYP2D6 4839/4885SPHK1 2057/4885
US-11602494-B2 Compositions containing microcapsules coated with deposition proteins AUP1, CAPG, TTR OPRM1 4633/4885CYP2D6 4857/4885SPHK1 3546/4885
US-11129778-B2 Compositions containing microcapsules coated with deposition proteins AUP1, CAPG, TTR OPRM1 4633/4885CYP2D6 4857/4885SPHK1 3546/4885
US-20180250204-A1 COMPOSITIONS CONTAINING MICROCAPSULES COATED WITH DEPOSITION PROTEINS SAAL1, AUP1, FABP5 OPRM1 3111/4885CYP2D6 4807/4885SPHK1 2005/4885
US-20170189283-A1 COMPOSITIONS CONTAINING MICROCAPSULES COATED WITH DEPOSITION PROTEINS SAAL1, AUP1, FABP5 OPRM1 3111/4885CYP2D6 4807/4885SPHK1 2005/4885
US-20200281826-A1 COMPOSITIONS CONTAINING MICROCAPSULES COATED WITH DEPOSITION PROTEINS AUP1, CAPG, TTR OPRM1 4633/4885CYP2D6 4857/4885SPHK1 3546/4885
US-20200170895-A1 POLYUREA CAPSULE COMPOSITIONS PUF60, UMPS, PCBP1 OPRM1 354/4885CYP2D6 4788/4885SPHK1 2343/4885

“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.