SCHEMBL448167

SCHEMBL448167

CC1(C)CCC(C)(C)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
TDP1 Q9NUW8 4/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 3/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
RXRA P19793 5/20 0.44
RXRB P28702 5/20 0.44
RXRG P48443 3/20 0.44
RARB P10826 2/20 0.44
RARG P13631 2/20 0.44
LMNA P02545 1/20 0.43
TDP2 O95551 1/20 0.42
HSD17B10 Q99714 2/20 0.42
ACHE P22303 2/20 0.42
PNMT P11086 3/20 0.41
RARA P10276 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41

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
SCHEMBL5846459 0.81 RARB (0.60) TSHRTDP1ALDH1A1NPC1MAPT
Ammonia Solution, Strong SCHEMBL29113467 0.80 PNMT (0.45) TSHRTDP1ALDH1A1CYP3A4MAPT
SCHEMBL12827583 0.80 PNMT (0.49) TSHRTDP1ALDH1A1CYP3A4MAPT
Ammonia Solution, Strong SCHEMBL28784417 0.79 PNMT (0.47) TSHRTDP1ALDH1A1CYP3A4MAPT
SCHEMBL5847717 0.79 PTGS2 (0.59) RAB9ARXRARXRBRXRGRARB
SCHEMBL9868856 0.78 RXRA (0.45) TSHRTDP1ALDH1A1CYP3A4MAPT
SCHEMBL14053257 0.78 PDK1 (0.37) TDP1ALDH1A1CYP3A4RXRARARB
SCHEMBL14053256 0.78 PDK1 (0.37) TDP1ALDH1A1CYP3A4RXRARARB
SCHEMBL7794239 0.77 RARA (0.40) RXRARXRBRXRGRARBRARG
SCHEMBL21750809 0.76 RARA (0.47) TSHRTDP1ALDH1A1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10238655-B2 Dihydroindene and tetrahydronaphthalene compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-03-26 US disclosed
US-20180207156-A1 DIHYDROINDENE AND TETRAHYDRONAPHTHALENE COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-07-26 US disclosed
US-20180207156-A1 DIHYDROINDENE AND TETRAHYDRONAPHTHALENE COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-07-26 US disclosed
US-10005741-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-06-26 US disclosed
US-10005741-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-06-26 US disclosed
US-20180141921-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-05-24 US disclosed
US-20180141921-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-05-24 US disclosed
US-9908856-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-06 US disclosed
US-9908856-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-06 US disclosed
US-20170008859-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2017-01-12 US disclosed
WO-1996020914-A1 TRICYCLIC RETINOIDS, METHODS FOR THEIR PRODUCTION AND USE LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-07-11 WO disclosed
US-5527945-A Diphenylheteroalkyl derivatives, the preparation thereof and drugs and cosmetics prepared therefrom BASF AKTIENGESELLSCHAFT (DE) 1996-06-18 US disclosed
US-5248823-A Diphenylheteroalkyl derivatives, the preparation thereof and drugs and cosmetics prepared therefrom BASF AKTIENGESELLSCHAFT (DE) 1993-09-28 US disclosed
EP-0386452-B1 DIPHENYL HETEROALKYL DERIVATIVES, THEIR PREPARATION AND MEDICINAL AND COSMETIC PREPARATIONS PREPARED THEREFROM BASF Aktiengesellschaft (DE) 1993-09-22 EP disclosed
US-5225601-A Sulfur containing compounds for skin disorders BASF AKTIENGESELLSCHAFT (DE) 1993-07-06 US disclosed
EP-0386451-B1 OXYGEN-BEARING DIPHENYL HETEROALKANES, PROCESS FOR THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1993-04-28 EP disclosed
US-5128479-A Skin disorders, cosmetics BASF AKTIENGESELLSCHAFT (DE) 1992-07-07 US disclosed
US-5087743-A Treatment of skin disorders BASF AKTIENGESELLSCHAFT (DE) 1992-02-11 US disclosed
EP-0386451-A1 Oxygen-bearing diphenyl heteroalkanes, process for their preparation and use BASF Aktiengesellschaft (DE) 1990-09-12 EP disclosed
EP-0386452-A1 Diphenyl heteroalkyl derivatives, their preparation and medicinal and cosmetic preparations prepared therefrom BASF Aktiengesellschaft (DE) 1990-09-12 EP 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-20170008859-A1 THERAPEUTIC COMPOUNDS IAPP, PARK7, NLN TSHR 4245/4885TDP1 2381/4885ALDH1A1 854/4885
US-20180207156-A1 DIHYDROINDENE AND TETRAHYDRONAPHTHALENE COMPOUNDS DHPS, DHODH, APP TSHR 4774/4885TDP1 563/4885ALDH1A1 257/4885
US-20180141921-A1 THERAPEUTIC COMPOUNDS IAPP, PARK7, NLN TSHR 4245/4885TDP1 2381/4885ALDH1A1 854/4885
US-10005741-B2 Therapeutic compounds IAPP, PARK7, NLN TSHR 4245/4885TDP1 2381/4885ALDH1A1 854/4885
US-10238655-B2 Dihydroindene and tetrahydronaphthalene compounds DHPS, DHODH, APP TSHR 4774/4885TDP1 563/4885ALDH1A1 257/4885

“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.