SCHEMBL21047726

SCHEMBL21047726

O=C1CCC(Oc2nccc3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
GRM4 Q14833 1/20 0.42
KLK5 Q9Y337 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1A P08908 1/20 0.40

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
SCHEMBL29586291 1.00 HCRTR1 (0.47) HCRTR1HCRTR2DDB1CRBNGRM4
SCHEMBL5469724 0.81 ROCK1 (0.49) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL5476262 0.79 ROCK1 (0.48) HCRTR1HCRTR2GRM4
Hydrochloric Acid SCHEMBL29862550 0.79 ROCK1 (0.48) HCRTR1HCRTR2GRM4
SCHEMBL29587131 0.78 PDE9A (0.41) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL5461406 0.75 CHRNB2 (0.47) HTR1A
SCHEMBL21047681 0.75 MEN1 (0.47) HCRTR1HCRTR2ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL5454375 0.74 CHRNB2 (0.46) HCRTR1HCRTR2HTR1A
SCHEMBL9628356 0.73 SLC6A2 (0.52) HCRTR1HCRTR2MAPT
SCHEMBL1178075 0.73 SLC6A2 (0.52) HCRTR1HCRTR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495341-B1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL KANTO DENKA KOGYO KK (JP) 2022-11-02 EP disclosed
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material KANTO DENKA KOGYO CO., LTD. (JP) 2019-10-22 US disclosed
EP-3495341-A1 METHOD FOR PRODUCING PERFLUOROALKYL COMPOUND USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL Kanto Denka Kogyo Co., Ltd. (JP) 2019-06-12 EP disclosed
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2019-06-06 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-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL PFKFB1, PFKFB4, PFAS HCRTR1 4503/4885HCRTR2 4486/4885DDB1 4487/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS HCRTR1 4503/4885HCRTR2 4486/4885DDB1 4487/4885

“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.