SCHEMBL447244

SCHEMBL447244

[CH2]C1CCCCCCCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.35
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
EPHX1 P07099 1/20 0.30
HIF1A Q16665 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
SCHEMBL9262111 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL866984 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL5188 1.00
SCHEMBL7589647 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL2081 1.00
SCHEMBL15121489 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL16694147 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL5429 1.00
SCHEMBL3030900 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL21831576 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116848094-A Tertiary amine lipid compounds and uses thereof 华南理工大学 2023-10-03 CN claimed
WO-2023125184-A1 TERTIARY AMINE LIPID COMPOUND AND USE THEREOF 华南理工大学 2023-07-06 WO claimed
EP-2662434-B1 Use of specific compounds for enhancing odours SYMRISE AG (DE) 2018-03-21 EP claimed
EP-2522669-B1 3-Spirocyclic indolyl derivatives useful as ORL-1 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-12-28 EP claimed
EP-2522669-A1 3-Spirocyclic indolyl derivatives useful as ORL-1 receptor modulators Janssen Pharmaceutica NV (BE) 2012-11-14 EP claimed
EP-1890696-A2 NOVEL 3-SPIROCYCLIC INDOLYL DERIVATIVES USEFUL AS ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-27 EP claimed
US-20070112016-A1 Novel 3-spirocyclic indolyl derivatives useful as ORL-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-17 US claimed
WO-2006130416-A2 NOVEL 3-SPIROCYCLIC INDOLYL DERIVATIVES USEFUL AS ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-07 WO claimed
EP-0193065-B1 Morpholine derivatives, processes for their production and their use as fungicides BASF AG (DE) 1995-08-23 EP claimed
EP-0048376-A1 Process for the preparation of N-substituted diaryl imidodicarboxylates BAYER AG (DE) 1982-03-31 EP claimed
CN-117396564-A non-CR passivating compositions and articles treated therewith 凯密特尔有限责任公司 2024-01-12 CN disclosed
CN-117355575-A Aqueous composition for metal surface treatment and application thereof 凯密特尔有限责任公司 2024-01-05 CN disclosed
CN-116848094-A Tertiary amine lipid compounds and uses thereof 华南理工大学 2023-10-03 CN disclosed
US-20230233526-A1 GRANZYME B INHIBITOR COMPOSITIONS AND METHODS FOR THE PREVENTION AND/OR TREATMENT OF SKIN BLISTERING AND/OR PEELING THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2023-07-27 US disclosed
WO-2023125184-A1 TERTIARY AMINE LIPID COMPOUND AND USE THEREOF 华南理工大学 2023-07-06 WO disclosed
US-4206076-A STABILIZERS AGAINST HEAT, LIGHT, OR OXYGEN SANDOZ LTD. (CH) 1980-06-03 US disclosed
US-4167573-A Method of controlling fungi with 3,5-dimethyl-piperidin-4-ones BASF AKTIENGESELLSCHAFT (DE) 1979-09-11 US disclosed
US-4107138-A Phosphonous and thiophosphonous acid ethers as stabilizers for organic materials SANDOZ LTD. (CH) 1978-08-15 US disclosed
US-3987097-A INCREASING AFFINITY FOR ANIONIC DYES SANDOZ LTD. (CH) 1976-10-19 US disclosed
US-3936479-A 2-BENZAMIDO-BENZOPHENONES, UV STABILIZERS, PLASTICS SANDOZ LTD., (SANDOZ AG) (CH) 1976-02-03 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 (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-20070112016-A1 Novel 3-spirocyclic indolyl derivatives useful as ORL-1 receptor modulators OXER1, OGFRL1, NR1H2 ALDH1A1 378/4885HSD17B10 1519/4885CES2 3315/4885
US-20230233526-A1 GRANZYME B INHIBITOR COMPOSITIONS AND METHODS FOR THE PREVENTION AND/OR TREATMENT OF SKIN BLISTERING AND/OR PEELING GZMB, SERPINB1, CTSB ALDH1A1 4771/4885HSD17B10 3048/4885CES2 3360/4885

“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.