SCHEMBL650917

SCHEMBL650917

CCC(CC)(CN)c1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
HSPA5 P11021 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
IDO1 P14902 2/20 0.35
CA2 P00918 4/20 0.35
CA12 O43570 2/20 0.35
ALOX15 P16050 2/20 0.35
CA14 Q9ULX7 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
GMNN O75496 1/20 0.35
EGFR P00533 1/20 0.35
FYN P06241 1/20 0.35
POLB P06746 1/20 0.35
CA3 P07451 1/20 0.35
CYP3A4 P08684 1/20 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
SCHEMBL980707 0.87 TSHR (0.56) TSHRALDH1A1TDP1HSPA5CA2
SCHEMBL31276573 0.87 TSHR (0.56) TSHRALDH1A1TDP1HSPA5CA2
SCHEMBL10490571 0.83 TSHR (0.35) TSHRALDH1A1TDP1CA2CA12
SCHEMBL983851 0.80 TSHR (0.48) TSHRALDH1A1TDP1HSPA5CA2
SCHEMBL27949918 0.78 TSHR (0.52) TSHRALDH1A1TDP1HSPA5TAAR1
SCHEMBL982245 0.77 TSHR (0.45) TSHRALDH1A1TDP1CA2CA12
SCHEMBL21775982 0.77 ALDH1A1 (0.50) TSHRALDH1A1TDP1HSPA5CA2
SCHEMBL21750656 0.77 TSHR (0.45) TSHRALDH1A1TDP1HSPA5CA2
SCHEMBL981692 0.77 TSHR (0.45) TSHRALDH1A1TDP1CA2CA12
SCHEMBL5982515 0.76 TAAR1 (0.33) TAAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11931711-B2 Microcapsule clusters ENCAPSYS, LLC (US) 2024-03-19 US disclosed
US-20230264161-A1 Microcapsule Clusters ENCAPSYS LLC (US) 2023-08-24 US disclosed
EP-3946710-A1 MICROCAPSULE CLUSTERS Encapsys, LLC (US) 2022-02-09 EP disclosed
EP-3206782-B1 CONTROLLED RELEASE DUAL WALLED MICROCAPSULES PROCTER & GAMBLE (US) 2021-12-15 EP disclosed
US-11180714-B2 Controlled release microcapsules ENCAPSYS, LLC (US) 2021-11-23 US disclosed
US-20200316551-A1 Microcapsule Clusters ENCAPSYS, LLC 2020-10-08 US disclosed
US-20190345410-A1 CONTROLLED RELEASE MICROCAPSULES ENCAPSYS, LLC (US) 2019-11-14 US disclosed
US-10456766-B2 Controlled release dual walled microcapsules ENCAPSYS LLC (US) 2019-10-29 US disclosed
US-10428294-B2 Controlled release microcapsules ENCAPSYS, LLC (US) 2019-10-01 US disclosed
US-20190282989-A1 CONTROLLED RELEASE DUAL WALLED MICROCAPSULES ENCAPSYS LLC (US) 2019-09-19 US disclosed
WO-1992019681-A1 PROCESS FOR PRODUCING AN ANTIMICROBIALLY EFFECTIVE POLYURETHANE OLIN CORPORATION (US) 1992-11-12 WO disclosed
US-5114984-A Dissolving pyrithione salt in alkanolamine; polymerization of polyol and polyisocyanate OLIN CORPORATION (US) 1992-05-19 US disclosed
US-5112878-A Free of CFC blowing agents OLIN CORPORATION (US) 1992-05-12 US disclosed
US-4766158-A CATALYTIC REACTION OF POLYISOCYANATES AND POLYEPOXIDE OLIN CORPORATION (US) 1988-08-23 US disclosed
EP-0254097-A2 Catalyst mixtures for polyisocyanurate foam THE CELOTEX CORPORATION (US) 1988-01-27 EP disclosed
US-4710521-A SALT OF CARBOXYLIC ACIDS AND TERTIARY AMINES THE CELOTEX CORPORATION (US) 1987-12-01 US disclosed
US-4699931-A REACTING POLYISOCYANATE WITH POLYEPOXIDE-THERMAL STABILITY OLIN CORPORATION (US) 1987-10-13 US disclosed
US-4699932-A UREA-AND WATER-FREE OLIN CORPORATION (US) 1987-10-13 US disclosed
US-4126742-A High-modulus polyisocyanurate elastomers THE UPJOHN COMPANY (US) 1978-11-21 US disclosed
US-4126741-A High-modulus polyisocyanurate elastomers THE UPJOHN COMPANY (US) 1978-11-21 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 (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-20190345410-A1 CONTROLLED RELEASE MICROCAPSULES NSF, CRH, CHMP4B TSHR 2714/4885ALDH1A1 4860/4885TDP1 2893/4885
US-10456766-B2 Controlled release dual walled microcapsules MYADM, MCHR2, MCHR1 TSHR 1759/4885ALDH1A1 4279/4885TDP1 3140/4885
US-10428294-B2 Controlled release microcapsules NSF, CRH, CHMP4B TSHR 2714/4885ALDH1A1 4860/4885TDP1 2893/4885
US-20190282989-A1 CONTROLLED RELEASE DUAL WALLED MICROCAPSULES MYADM, MCHR2, MCHR1 TSHR 1759/4885ALDH1A1 4279/4885TDP1 3140/4885
US-11180714-B2 Controlled release microcapsules NSF, CRH, CHMP4B TSHR 2714/4885ALDH1A1 4860/4885TDP1 2893/4885

“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.